SCHEMBL7986382

SCHEMBL7986382

CCCCOc1ccc(OC(=O)NC(=N)c2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.53
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MGLL Q99685 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7985699 0.97 FAAH (0.51) FAAHSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL7975359 0.96 FAAH (0.52) FAAHSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL7985660 0.96 FAAH (0.52) FAAHSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL7974771 0.96 FAAH (0.52) FAAHSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL7985763 0.95 FAAH (0.47) FAAHMAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL7974855 0.90 KMT2A (0.43) FAAHSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL7989584 0.88 THRB (0.44) FAAHMGLL
SCHEMBL7986173 0.85 THRB (0.46) FAAHSMN1; SMN2NPC1
SCHEMBL7993033 0.84 RAB9A (0.48) FAAHSMN1; SMN2NPC1LMNAMGLL
SCHEMBL7985659 0.84 RAB9A (0.45) MAPK1SMN1; SMN2NPC1LMNACYP1A2

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed