SCHEMBL3724317

SCHEMBL3724317

Cc1onc(-c2ccccc2Cl)c1[C]=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GPBAR1 Q8TDU6 8/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
EPAS1 Q99814 1/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8315807 0.83 TSHR (0.57) PTGS2GPBAR1LMNAKDM4EALDH1A1
SCHEMBL10083918 0.82 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL10394013 0.78 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL11234151 0.78 PTGS1 (0.54) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL6380887 0.77 PTGS2 (0.58) PTGS1PTGS2LMNAALDH1A1MAPT
SCHEMBL10774897 0.77 LMNA (0.55) GPBAR1LMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL14258658 0.76 PTGS1 (0.62) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL3724318 0.75 PTGS1 (0.57) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL27910275 0.75 HSD17B10 (0.78) HSD17B10GPBAR1LMNAALDH1A1CYP2C19
SCHEMBL27525339 0.74 GPBAR1 (0.49) PTGS2GPBAR1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426520-A CEPHALOSPORIN ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-01-17 US claimed
US-4322347-A 2-Carbamoyloxymethyl-penicillin derivatives BRISTOL-MYERS COMPANY (US) 1982-03-30 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4051126-A HALOGENATION, ALKOXYLATION YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-09-27 US disclosed
US-4014872-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (EN) 1977-03-29 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed