SCHEMBL9752441

SCHEMBL9752441

CCCCCCCCc1cnc(-c2ccc(OCCCCC(C)CCC)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.52
▸ RAB9A P51151 7/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL9238778 1.00 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10478069 0.96 RARB (0.53) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10478170 0.95 RARB (0.54) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9282711 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9239508 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9282680 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10667610 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10345666 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10472824 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9282659 0.93 RARB (0.52) RARBRAB9AKDM4ENPC1SMN1; SMN2

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-3178967-A — — None — — JP disclosed
JP-H03178967-A PYRIMIDINE DERIVATIVE DAINIPPON INK & CHEM INC 1991-08-02 — — JP disclosed
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