SCHEMBL95863

SCHEMBL95863

O=CCC=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.56
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
TRPA1 O75762 1/20 0.52
ALOX5 P09917 1/20 0.52
MAPK1 P28482 1/20 0.52
IDO1 P14902 2/20 0.50
MAOB P27338 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 3/20 0.47
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1817496 1.00 PAM (0.56) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL14312252 0.95 PAM (0.52) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL14312254 0.95 PAM (0.52) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL14312251 0.95 PAM (0.52) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL8644372 0.87 HDAC2 (0.47) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL9777486 0.84 IDO1 (0.58) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL4863423 0.84 IDO1 (0.58) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL17291648 0.82 TRIM24 (0.45) PAMALDH1A1MAOBCYP2A6HDAC1
SCHEMBL2399949 0.81 PAM (0.52) PAMALDH1A1LMNATRPA1ALOX5
SCHEMBL97315 0.81 PAM (0.52) PAMALDH1A1LMNATRPA1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583874-A Method for catalyzing asymmetric series reaction of internal alkyne by using metal rhodium 南京林业大学 2023-01-10 CN claimed
CN-111233618-A Method for preparing chloroethylene compounds by using phosgene 浙江新和成股份有限公司 2020-06-05 CN claimed
CN-110964420-A Antibacterial multifunctional material with self-repairing performance and preparation and application thereof 香港城市大学 2020-04-07 CN claimed
US-7078015-B2 TEMPERATURE ACTIVATED GASEOUS LIPOSOMES; THERAPY DRUG DELIVERY; ACCUMULATING IN CANCER AND DISEASE TISSUE IMARX THERAPEUTICS, INC. (US) 2006-07-18 US claimed
US-4475999-A ALKYL CINNAMYL KETONE STAUFFER CHEMICAL COMPANY (US) 1984-10-09 US claimed
US-20250327100-A1 Strain of Pseudomonas Putida Genetically Modified to Express a Benzalacetone Reductase BGENE GENETICS (FR) 2025-10-23 US disclosed
CN-115650837-B Method for preparing ketone compound by 1,4 addition reaction of alpha, beta unsaturated ketene 南京工业大学 2024-05-17 CN disclosed
CN-118045166-A Polyhexamethylene guanidine hydrochloride disinfectant and preparation method thereof 济南迪曼生物科技有限公司 2024-05-17 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-115947668-A Preparation method of polysubstituted indene derivative 广东工业大学 2023-04-11 CN disclosed
CN-115650837-A Method for preparing ketone compound by utilizing 1,4 addition reaction of alpha, beta unsaturated ketene 南京工业大学 2023-01-31 CN disclosed
CN-115583874-A Method for catalyzing asymmetric series reaction of internal alkyne by using metal rhodium 南京林业大学 2023-01-10 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4507225-A Process for augmenting or enhancing the aroma of perfume compositions, colognes and perfumed articles with 1-phenylpenten-4-one-1 and methyl homologues thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-03-26 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4475999-A ALKYL CINNAMYL KETONE STAUFFER CHEMICAL COMPANY (US) 1984-10-09 US disclosed
US-4475999-A ALKYL CINNAMYL KETONE STAUFFER CHEMICAL COMPANY (US) 1984-10-09 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed