SCHEMBL8699084

SCHEMBL8699084

CC(CC(=O)N1CCCCC1C(C)n1ccnc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.45
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 1/20 0.38
USP19 O94966 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL8699551 0.85 HPGD (0.42) HPGDKDM4ECYP17A1ALDH1A1SMN1; SMN2
SCHEMBL8696293 0.83 NPC1 (0.47) HPGDRAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL8695560 0.82 NPC1 (0.47) HPGDRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8701241 0.82 MEN1 (0.56) RAB9ANPC1KMT2A
SCHEMBL8699085 0.79 PKM (0.49) USP7HPGDRAB9ACYP3A4CYP2C19
SCHEMBL8698076 0.78 CYP17A1 (0.44) CYP17A1CYP19A1
SCHEMBL8699079 0.74 F2 (0.40) CYP17A1TSHRKMT2A
SCHEMBL8696854 0.73 ALDH1A1 (0.43) HPGDKDM4ECYP17A1ALDH1A1KMT2A
SCHEMBL8699130 0.71 TBXAS1 (0.47) HPGDKDM4EALDH1A1KMT2A
SCHEMBL9501764 0.71 ACE (0.55) HPGDRAB9AALDH1A1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed