SCHEMBL8447769

SCHEMBL8447769

CCCCCCCCCCc1cnc(-c2ccc(OC(=O)CCCCCCC3CCCCC3)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.51
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 6/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NAAA Q02083 1/20 0.38
OPRM1 P35372 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
SCHEMBL8452196 1.00 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8628038 0.99 RARB (0.52) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8627223 0.99 RARB (0.52) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8628335 0.99 RARB (0.52) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8625744 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8629086 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8627072 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8623510 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8624968 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8629141 0.98 RARB (0.51) RARBHPGDSMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876628-A Compounds for use in liquid-crystal composition HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
EP-0697017-A1 NOVEL COMPOUNDS FOR USE IN LIQUID-CRYSTAL COMPOSITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP disclosed
WO-1994026720-A1 NOVEL COMPOUNDS FOR USE IN LIQUID-CRYSTAL COMPOSITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-24 WO disclosed