SCHEMBL11265370

SCHEMBL11265370

COc1cc2ccc(CC(=O)N3CCCCC3C)cc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
TP53 P04637 1/20 0.44
PTGS2 P35354 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
SCHEMBL11277514 0.81 HTT (0.60) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL21540140 0.81 KMT2A (0.59) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL21594744 0.81 KMT2A (0.59) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL11278425 0.80 HTT (0.59) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL11286791 0.80 HTT (0.59) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL8828176 0.74 KDM4E (0.55) KDM4EALDH1A1KMT2A
SCHEMBL13280179 0.74 HPGD (0.74) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL26125381 0.74 HPGD (0.74) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL17664707 0.74 KDM4E (0.57) KDM4EALDH1A1KMT2ATP53
SCHEMBL26128333 0.74 HPGD (0.62) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed