SCHEMBL9845476

SCHEMBL9845476

CCCCCC(OCc1ccccc1)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.48
CETP P11597 3/20 0.48
HDAC2 Q92769 2/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL2638928 0.99 CETP (0.50) CTRCCETPHDAC2PPARGPPARA
SCHEMBL5508983 0.88 CTRC (0.56) CTRCCETPHDAC2PPARGPPARA
SCHEMBL1358810 0.87 CTRC (0.58) CTRCCETPHDAC2PPARGPPARA
SCHEMBL1358807 0.87 CTRC (0.58) CTRCCETPHDAC2PPARGPPARA
SCHEMBL27269693 0.87 CTRC (0.58) CTRCCETPHDAC2PPARGPPARA
SCHEMBL22497686 0.87 CTRC (0.58) CTRCCETPHDAC2PPARGPPARA
SCHEMBL27700677 0.85 CETP (0.51) CTRCCETPHDAC2CNR2ALDH1A1
SCHEMBL28918374 0.84 CTRC (0.53) CTRCCETPHDAC2CNR2
SCHEMBL830484 0.83 PPARG (0.57) CTRCCETPHDAC2PPARGPPARA
SCHEMBL8984441 0.83 CTRC (0.55) CTRCCETPHDAC2PPARGPPARA

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-0438381-A1 Stabilization of dyes on polyamide fibres CIBA-GEIGY AG (CH) 1991-07-24 EP disclosed