SCHEMBL6981882

SCHEMBL6981882

CC(=NOCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HPGD P15428 1/20 0.48
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
PPARA Q07869 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 3/20 0.42
PPARG P37231 3/20 0.42

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
SCHEMBL11247611 1.00 NPC1 (0.57) NPC1RAB9AHPGDLMNAL3MBTL1
Hydrochloric Acid SCHEMBL11257015 0.98 NPC1 (0.56) NPC1RAB9AHPGDLMNAL3MBTL1
Hydrochloric Acid SCHEMBL11257017 0.98 NPC1 (0.56) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11255995 0.87 NPC1 (0.53) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11255993 0.87 NPC1 (0.53) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11406624 0.85 NPC1 (0.52) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11423805 0.84 NPC1 (0.51) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11408675 0.84 PPARA (0.55) NPC1RAB9ALMNAL3MBTL1MAPK1
SCHEMBL16395588 0.83 LMNA (0.67) NPC1RAB9AHPGDLMNAL3MBTL1
SCHEMBL11256011 0.83 MAPT (0.60) NPC1RAB9AHPGDLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317835-A ANTIINFLAMMATERY, ANALGESIC DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-03-02 US claimed
US-4242348-A ANALGESICS; ANTIIFLAMMATORY AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-12-30 US claimed
US-4196216-A ANTIINFLAMMATORY AGENTS, ANALGESICS U.S. PHILIPS CORPORATION (US) 1980-04-01 US claimed
US-4071686-A ANTIINFLAMMATORY, ANALGESIC U.S. PHILIPS CORPORATION (US) 1978-01-31 US claimed
EP-0991643-B1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORP (US) 2003-04-02 EP disclosed
EP-0991643-A1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-12 EP disclosed
US-5945430-A BENZO(5,6)CYCLOHEPTAPYRIDINE COMPOUNDS THAT INHIBIT RAS FUNCTION, USE FOR TREATING TUMOR CELLS EXPRESSING AN ACTIVATED RAS ONCOGENE IN MAMMALS SCHERING CORPORATION (US) 1999-08-31 US disclosed
WO-1998057965-A1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO disclosed
US-4317835-A ANTIINFLAMMATERY, ANALGESIC DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-03-02 US disclosed
US-4242348-A ANALGESICS; ANTIIFLAMMATORY AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-12-30 US disclosed
US-4196216-A ANTIINFLAMMATORY AGENTS, ANALGESICS U.S. PHILIPS CORPORATION (US) 1980-04-01 US disclosed
US-4071686-A ANTIINFLAMMATORY, ANALGESIC U.S. PHILIPS CORPORATION (US) 1978-01-31 US disclosed
US-4044023-A ANTIINFLAMMATORY, ANALGESICS U.S. PHILIPS CORPORATION (US) 1977-08-23 US disclosed