SCHEMBL28635231

SCHEMBL28635231

CCN(CC(=O)O)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
TEAD1 P28347 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MC4R P32245 1/20 0.39
SCN4A P35499 1/20 0.39
MC3R P41968 1/20 0.39

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
SCHEMBL1028025 0.91 TDP1 (0.56) CYP3A4LMNATDP1TRPM8TSHR
SCHEMBL11670660 0.85 ALDH1A1 (0.47) CYP3A4LMNATDP1TRPM8TSHR
SCHEMBL24833805 0.83 LMNA (0.45) CYP3A4LMNATRPM8TSHRNPSR1
SCHEMBL29085120 0.82 CA1 (0.51) TDP1
SCHEMBL342625 0.81 TDP1 (0.46) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL30811370 0.81 TDP1 (0.46) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL29520654 0.80 CYP3A4 (0.46) CYP3A4LMNATRPM8TSHRNPSR1
SCHEMBL328909 0.80 CYP3A4 (0.46) CYP3A4LMNATRPM8TSHRNPSR1
SCHEMBL14557251 0.80 CYP3A4 (0.43) CYP3A4LMNATRPM8TSHRNPSR1
SCHEMBL11435633 0.80 ALDH1A1 (0.44) CYP3A4LMNATDP1TSHRMAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728092-B Edge block with improved odor performance 西姆莱斯股份公司 2025-02-28 CN disclosed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN disclosed
CN-118829433-A Respiratory stimulant parenteral formulations 依那拉治疗股份有限公司 2024-10-22 CN disclosed
CN-118488840-A Methods of treating respiratory depression modulated by non-opioid agents 依那拉治疗股份有限公司 2024-08-13 CN disclosed
CN-118401108-A Lactones for enhancing the activity of antimicrobial agents 巴斯夫欧洲公司 2024-07-26 CN disclosed
CN-118234474-A Fragrance compositions based on polyurethanes 科蒂公司 2024-06-21 CN disclosed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
CN-117529306-A Nicotinamide Adenine Dinucleotide (NAD) compositions, methods of making and methods of using the same 索维达解决方案有限公司 2024-02-06 CN disclosed
CN-117479945-A Large conductance potassium channel modulators, compositions thereof, methods of making and methods of using the same 依那拉治疗股份有限公司 2024-01-30 CN disclosed
CN-113518613-B Bio-based pearlescent wax 巴斯夫欧洲公司 2023-12-01 CN disclosed
CN-107249553-B Compositions comprising carbohydrate partial esters 巴斯夫欧洲公司 2021-09-07 CN disclosed