SCHEMBL9507173

SCHEMBL9507173

CCc1c(C)cc(OC)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 1/20 0.43
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
RXFP1 Q9HBX9 1/20 0.35
ALOX5 P09917 4/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL13823636 0.88 PTGS2 (0.45) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL17243939 0.83 PDE3B (0.40) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL11169920 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL8130587 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTPDE3B
SCHEMBL10751045 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL24690678 0.79 PDE3B (0.43) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL25329804 0.79 FASN (0.42) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL23181611 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL16363013 0.78 PTGS2 (0.39) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL16259365 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTACHE

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
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed