SCHEMBL9719463

SCHEMBL9719463

c1cc2cc(c1)Cc1c(ccc3c1-c1ccccc1-3)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRD5A2 P31213 1/20 0.31
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30

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
SCHEMBL5713328 0.77 MAPT (0.42) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL5399458 0.72 CES1 (0.38) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL27605410 0.71 HSP90AA1 (0.33) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL11560397 0.63 MAOA (0.41) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL29894137 0.63 CHKA (0.32) ALDH1A1LMNA
SCHEMBL30945595 0.63 CHKA (0.32) ALDH1A1LMNA
SCHEMBL29236876 0.63 ALDH1A1 (0.47) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL30547267 0.63 CHKA (0.32) ALDH1A1LMNA
SCHEMBL30163133 0.62 PNMT (0.52) KDM4ENPC1ALDH1A1LMNAMAPT
Hydrogen Sulfide SCHEMBL23044042 0.61 CHKA (0.31) ALDH1A1LMNA

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-0227163-B1 CROSSLINKABLE ELASTOMERIC COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-05-20 EP claimed