SCHEMBL9016860

SCHEMBL9016860

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1ccc(CCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLCO1B3 Q9NPD5 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LTA4H P09960 2/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 1/20 0.55
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55

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
SCHEMBL17402432 1.00 NR5A1 (0.63) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL27370379 1.00 NR5A1 (0.63) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL14101446 1.00 NR5A1 (0.63) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL14231646 1.00 NR5A1 (0.63) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL13652482 0.98 NR5A1 (0.60) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL10568723 0.96 ALDH1A1 (0.67) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL12587660 0.94 NR5A1 (0.66) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL29962325 0.94 NR5A1 (0.66) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL1696516 0.94 ALDH1A1 (0.59) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL13763215 0.92 ALDH1A1 (0.71) NR5A1ALDH1A1MEN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP claimed