SCHEMBL9306002

SCHEMBL9306002

CCC(C)c1cc(C(C)(C)C)c([O])c(C(C)(C)CC)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
RORC P51449 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
SCHEMBL9305081 0.79 ALDH1A1 (0.40) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL144821 0.74 CA2 (0.50) USP2ALDH1A1GAAPKMHPGD
SCHEMBL17260936 0.73 USP2 (0.33) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL11878097 0.71 GAA (0.56) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL2951999 0.70 CYP1A2 (0.44) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL8976394 0.70 CA2 (0.43) ALDH1A1
SCHEMBL12626206 0.69 CYP2C9 (0.52) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL18219834 0.69 VCAM1 (0.37) ALDH1A1GAA
SCHEMBL5703484 0.69 TSHR (0.40) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL8961289 0.68 USP2 (0.35) HDAC4HDAC2HDAC8USP2ALDH1A1

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-5308901-A Oxidation resistant, photostabilizers for polymers GENERAL ELECTRIC COMPANY (US) 1994-05-03 US disclosed
US-5137950-A Reacting phosphorous trichloride with alcohol; polymer stabilizer BORG-WARNER SPECIALTY CHEMICALS, INC. (US) 1992-08-11 US disclosed