SCHEMBL7975359

SCHEMBL7975359

CCCCCCOc1ccc(OC(=O)NC(=N)c2cc[c]cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.52
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G4B P0C869 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RARB P10826 3/20 0.46

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
SCHEMBL7974771 1.00 FAAH (0.52) FAAHTP53TSHRNPC1LMNA
SCHEMBL7985660 1.00 FAAH (0.52) FAAHTP53TSHRNPC1LMNA
SCHEMBL7985699 0.99 FAAH (0.51) FAAHTP53TSHRNPC1LMNA
SCHEMBL7986382 0.96 FAAH (0.53) FAAHTP53TSHRNPC1LMNA
SCHEMBL7985763 0.91 FAAH (0.47) FAAHLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL7974855 0.86 KMT2A (0.43) FAAHNPC1LMNASMN1; SMN2CYP1A2
SCHEMBL7989584 0.84 THRB (0.44) FAAHNFKB1NFKB2RELARARB
SCHEMBL7985754 0.84 EPHX1 (0.46) TP53TSHRNPC1LMNASMN1; SMN2
SCHEMBL7992455 0.82 NPC1 (0.44) TP53TSHRNPC1LMNASMN1; SMN2
SCHEMBL7986173 0.81 THRB (0.46) FAAHNPC1NFKB1NFKB2RELA

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