SCHEMBL9728623

SCHEMBL9728623

CCCc1c(OC)ccc(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GRM2 Q14416 1/20 0.51
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
PPARD Q03181 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
CYSLTR2 Q9NS75 7/20 0.47
CYSLTR1 Q9Y271 7/20 0.47

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
SCHEMBL10378288 0.87 PPARG (0.58) MAPTTDP1GRM2PPARGPPARA
SCHEMBL9728468 0.86 PPARG (0.48) MAPTGRM2PPARGPPARAPPARD
SCHEMBL17685400 0.84 PPARG (0.48) MAPTTDP1PPARGPPARA
SCHEMBL30771540 0.82 MAPT (0.53) MAPTTDP1GRM2PPARGPPARA
SCHEMBL9506923 0.81 PPARG (0.56) MAPTGRM2PPARGPPARAPPARD
SCHEMBL6232359 0.81 MAPT (0.40) MAPTTDP1GRM2PPARGPPARA
SCHEMBL11046915 0.80 PPARG (0.74) MAPTGRM2PPARGPPARAPPARD
SCHEMBL10560020 0.80 ALOX15 (0.50) MAPTPPARGPPARAPPARDLMNA
SCHEMBL10726758 0.80 SELL (0.53) MAPTGRM2PPARGPPARAPPARD
SCHEMBL2427873 0.79 HTT (0.56) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed