SCHEMBL4456300

SCHEMBL4456300

CCC(C)c1ccc(C(C)c2ccc(C(C)CC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TSHR P16473 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL875855 0.79 ALDH1A1 (0.59) ALDH1A1USP2GAAPKMHPGD
SCHEMBL99080 0.76 CYP2C9 (0.47) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11449785 0.75 ALDH1A1 (0.54) ALDH1A1USP2GAAPKMHPGD
SCHEMBL858472 0.75 ALDH1A1 (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL12697240 0.74 ALDH1A1 (0.43) ALDH1A1USP2GAAPKMHPGD
SCHEMBL14279821 0.74 GAA (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11685349 0.72 ALDH1A1 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL144821 0.72 CA2 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL835562 0.71 GAA (0.59) ALDH1A1USP2GAAPKMHPGD
SCHEMBL7951316 0.71 ALDH1A1 (0.36) ALDH1A1USP2GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669405-B1 VINYL CHLORIDE BASED RESIN COMPOSITION FOR VEHICLE ADEKA CORP (JP) 2009-06-10 EP disclosed
US-7361704-B2 Vinyl chloride resin composition for vehicles ADEKA CORPORATION (JP) 2008-04-22 US disclosed
EP-1669405-A1 VINYL CHLORIDE BASED RESIN COMPOSITION FOR VEHICLE Asahi Denka Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20060052517-A1 Vinyl chloride resin composition for vehicle ADEKA CORPORATION (JP) 2006-03-09 US disclosed