SCHEMBL7906250

SCHEMBL7906250

COc1ccc(C(O)CN)cc1OCCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
SMPD1 P17405 1/20 0.42
CETP P11597 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
AKR1B1 P15121 1/20 0.40
ADA P00813 1/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
ADRB2 P07550 2/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL6585940 0.86 L3MBTL1 (0.41) L3MBTL1PARP15PARP10SMPD1CETP
SCHEMBL7919811 0.81 NFKB1 (0.55) NFKB1BLMPMP22
SCHEMBL5704545 0.80 SMPD1 (0.48) L3MBTL1PARP15PARP10SMPD1CETP
SCHEMBL7906188 0.76 PDE4B (0.56) NFKB1BLMPMP22ADRB2DRD2
SCHEMBL7914446 0.76 NFKB1 (0.60) NFKB1BLMPMP22SMPD1CYP3A4
SCHEMBL7906172 0.75 NFKB1 (0.53) NFKB1BLMPMP22
SCHEMBL15921910 0.75 NFKB1 (0.75) NFKB1BLMPMP22L3MBTL1TP53
SCHEMBL7148550 0.75 NFKB1 (0.75) NFKB1BLMPMP22L3MBTL1TP53
SCHEMBL29633151 0.75 NFKB1 (0.75) NFKB1BLMPMP22L3MBTL1TP53
SCHEMBL1966507 0.75 NFKB1 (0.75) NFKB1BLMPMP22L3MBTL1TP53

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed