SCHEMBL8716747

SCHEMBL8716747

COc1ccccc1NC(=O)c1cccc(COC2CCCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
EP300 Q09472 1/20 0.47
PDE5A O76074 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
ROCK2 O75116 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8714080 0.89 MAPT (0.55) CREBBPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4490282 0.81 PPM1D (0.49) CREBBPSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4505041 0.79 MEN1 (0.54) CREBBPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4499871 0.77 CREBBP (0.45) CREBBPSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8710534 0.75 SIRT2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL26192067 0.74 SMN1; SMN2 (0.46) CREBBPSMN1; SMN2RAB9AMAPTEP300
SCHEMBL32678568 0.74 CREBBP (0.44) CREBBPEP300KMT2AMEN1LMNA
SCHEMBL32678567 0.74 CREBBP (0.44) CREBBPEP300KMT2AMEN1LMNA
SCHEMBL14052788 0.74 CREBBP (0.48) CREBBPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8714422 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTMAPTPOLB

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed