SCHEMBL8964550

SCHEMBL8964550

CCn1c2ccccc2c2cc(O)c(-c3nc4ccc(C)cc4o3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 3/20 0.44
PKM P14618 1/20 0.44
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL8964781 0.88 NPC1 (0.52) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL8964877 0.87 ALDH1A1 (0.43) RPS6KA3NPC1RAB9AHSD17B10KDM4E
SCHEMBL8964782 0.81 NPC1 (0.41) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL8964790 0.77 RPS6KA3 (0.53) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL8964583 0.77 NPY5R (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12304267 0.75 HSD17B10 (0.66) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL802768 0.74 HSD17B10 (0.60) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL8964898 0.73 RPS6KA3 (0.49) RPS6KA3ESR1ESR2NPC1RAB9A
SCHEMBL27817965 0.71 NPY5R (0.52) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL12304263 0.71 KDM4E (0.62) RPS6KA3ESR1ESR2NPC1RAB9A

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US claimed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed