SCHEMBL10338239

SCHEMBL10338239

CCCCCCCCCCOc1ccc(-c2ncc(-c3ccc(OCCC[C@@H](C)CCC)cc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MAPT P10636 2/20 0.49
▸ RARB P10826 3/20 0.49
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ NR5A1 Q13285 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PPARG P37231 2/20 0.42

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
SCHEMBL10618101 0.92 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10339681 0.92 RAB9A (0.53) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9723144 0.91 NPC1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9723203 0.90 NPC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10427318 0.88 NPC1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9184595 0.88 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330768 0.88 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10427273 0.87 RARB (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10427174 0.87 NPC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9752441 0.86 RARB (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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
JP-2025470-A — — None — — JP disclosed
JP-H0225470-A OPTICALLY ACTIVE PYRIMIDINE COMPOUND ADEKA ARGUS CHEM CO LTD 1990-01-26 — — JP disclosed
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