SCHEMBL76793

SCHEMBL76793

Cc1ccc(Sc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.55
HTR1A P08908 11/20 0.53
HTR3A P46098 11/20 0.53
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
HRH2 P25021 2/20 0.50

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
SCHEMBL29475022 1.00 HAO1 (0.55) HAO1HTR1AHTR3ALMNATP53
SCHEMBL13057071 0.89 HTR1A (0.57) HAO1HTR1AHTR3ALMNATP53
SCHEMBL3538549 0.87 HAO1 (0.46) HAO1HTR1AHTR3ALMNATP53
SCHEMBL14252178 0.85 HAO1 (0.49) HAO1HTR1AHTR3ALMNATP53
SCHEMBL576257 0.83 NPC1 (0.50) HAO1HTR1AHTR3ALMNATP53
SCHEMBL29411684 0.83 NPC1 (0.50) HAO1HTR1AHTR3ALMNATP53
SCHEMBL11225501 0.82 HTR1A (0.59) HAO1HTR1AHTR3ALMNATP53
SCHEMBL7674839 0.82 HTR1A (0.50) HAO1HTR1AHTR3ALMNAHPGD
SCHEMBL14723181 0.82 SLC6A4 (0.57) HTR1AHTR3AMEN1MAPTKMT2A
SCHEMBL3546034 0.82 HAO1 (0.42) HAO1HTR1AHTR3ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015079018-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENVL)LITHIUM INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-06-04 WO claimed
EP-2878596-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates LEK Pharmaceuticals d.d. (SI) 2015-06-03 EP claimed
US-4210766-A BROMINATION OF 2-HALOPHENOLS CIBA-GEIGY CORPORATION (US) 1980-07-01 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-112533934-B Polyoxometallate compounds exhibiting bright emissions and methods of making same 纳米2D材料有限公司 2024-07-19 CN disclosed
CN-118084824-A Synthesis method of antidepressant drug, namely voethidine 万特制药(海南)有限公司 2024-05-28 CN disclosed
CN-117924215-A Synthesis method of vothixetine 万全万特制药(厦门)有限公司 2024-04-26 CN disclosed
EP-3383503-B1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING COLGATE PALMOLIVE CO (US) 2022-07-27 EP disclosed
CN-114656363-A Synthetic method of palladium-catalyzed aromatic ester compound 南京林业大学 2022-06-24 CN disclosed
CN-108603177-B Enzyme delivery system 纳幕尔杜邦公司 2022-06-17 CN disclosed
CN-108778688-B Radiation curable compositions for additive fabrication having improved toughness and high temperature resistance 科思创(荷兰)有限公司 2022-05-13 CN disclosed
US-6417374-B1 Process for the preparation of beta hydroxy-delta lactone using novel intermediates COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-07-09 US disclosed
WO-2001007386-A2 ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS 1428388 ONTARIO LIMITED (CA) 2001-02-01 WO disclosed
US-5912212-A OIL WITH 3-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL FATTY ESTER, SULFUR AND PHOSPHORUS NIPPON OIL CO., LTD. (JP) 1999-06-15 US disclosed
EP-0795023-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1997-09-17 EP disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP disclosed
WO-1996017075-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1996-06-06 WO disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
US-4343029-A CAPACITORS; TRANSFORMERS THE DOW CHEMICAL COMPANY (US) 1982-08-03 US disclosed
US-4210766-A BROMINATION OF 2-HALOPHENOLS CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed