SCHEMBL9141017

SCHEMBL9141017

CCOC(=O)Cc1ccc(CC2CCCCC2=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.42
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
FDFT1 P37268 1/20 0.39
TP53 P04637 1/20 0.37
LIPE Q05469 1/20 0.37
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9141011 1.00 CYP4Z1 (0.42) CYP4Z1MAPTSMN1; SMN2LMNAFDFT1
SCHEMBL9141292 0.97 CYP4Z1 (0.42) CYP4Z1MAPTSMN1; SMN2LMNAFDFT1
SCHEMBL9141296 0.97 CYP4Z1 (0.42) CYP4Z1MAPTSMN1; SMN2LMNAFDFT1
SCHEMBL11543792 0.82 PTGS1 (0.49) KMT2APTGS1PTGS2OPRK1HTT
SCHEMBL11543796 0.82 PTGS1 (0.49) KMT2APTGS1PTGS2OPRK1HTT
SCHEMBL9140291 0.81 PTGS1 (0.40) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL9140288 0.81 PTGS1 (0.40) LMNAGAAKMT2AALDH1A1HPGD
Ethyl Acetate SCHEMBL9146291 0.79 L3MBTL1 (0.42) SMN1; SMN2KMT2AALDH1A1PTGS1PTGS2
SCHEMBL9138676 0.79 PTGS1 (0.43) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL9138675 0.79 PTGS1 (0.43) LMNAGAAKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US disclosed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US disclosed