SCHEMBL7940252

SCHEMBL7940252

CCC(C)(C)c1cc(CC(=O)O)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
RXRA P19793 2/20 0.37
PPARG P37231 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35

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
SCHEMBL7792782 0.86 HMGB1 (0.38) HMGB1CXCL12NR1H4THRBTHRA
SCHEMBL7786499 0.86 ALDH1A1 (0.45) CYP1A2CYP2C19CYP2C9GAAHPGD
SCHEMBL283522 0.85 CYP1A2 (0.52) HMGB1CXCL12NR1H4THRBTHRA
SCHEMBL5850665 0.85 GAA (0.42) HMGB1CXCL12THRBTHRARXRA
SCHEMBL7792869 0.84 HSPA5 (0.45) THRBTHRARXRAPPARGITGB3
SCHEMBL7792784 0.84 ALDH1A1 (0.41) HMGB1CXCL12NR1H4THRBTHRA
SCHEMBL4915927 0.82 SHBG (0.47) HMGB1CXCL12ESR1ESR2CYP1A2
SCHEMBL7796602 0.81 THRB (0.40) NR1H4THRBTHRARXRAPPARG
SCHEMBL5850773 0.80 MAPT (0.42) GAATDP1POLBMAPT
SCHEMBL10602464 0.80 SHBG (0.42) HMGB1CXCL12ESR1ESR2CYP1A2

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed