SCHEMBL8700696

SCHEMBL8700696

Cc1cc2c(c(C)c1O)C(C)(C)CC(C)(C)O2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
GPR35 Q9HC97 1/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 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
SCHEMBL8703151 0.85
SCHEMBL6130778 0.72 ALDH1A1 (0.38) ALDH1A1MAPTKDM4E
SCHEMBL7028905 0.71 ALDH1A1 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL29599864 0.71 ALDH1A1 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL8704314 0.71 AKR1B1 (0.36)
SCHEMBL9328014 0.71 FTO (0.33)
SCHEMBL30440069 0.70 CTSB (0.39)
SCHEMBL2481913 0.70 CTSB (0.39)
SCHEMBL15867091 0.69 FTO (0.38)
SCHEMBL889938 0.68 CYP26A1 (0.43)

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
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 WO disclosed