SCHEMBL7792653

SCHEMBL7792653

CCCCCC(C)(C)c1cc(C(=O)O)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PLA2G4B P0C869 1/20 0.49
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9132226 0.99 PLA2G4B (0.51) TSHRCA12CA1CA2CA4
SCHEMBL8090921 0.99 PLA2G4B (0.51) TSHRCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL9130554 0.97 PLA2G4B (0.50) TSHRCA12CA1CA2CA4
SCHEMBL9492347 0.87 PLA2G4B (0.47) TSHRPLA2G4BRARARARBRARG
SCHEMBL981508 0.87 RARB (0.67) TSHRPLA2G4BRARARARBRARG
SCHEMBL9135473 0.87 PLA2G4B (0.44) TSHRCA12CA1CA2CA4
SCHEMBL9485704 0.87 MAPK1 (0.50) TSHRMAPK1SMPD1CNR1CNR2
SCHEMBL9485696 0.87 CNR2 (0.48) TSHRSMPD1CNR1CNR2TP53
SCHEMBL9468107 0.87 CNR2 (0.53) TSHRPLA2G4BRARBRAB9AALDH1A1
SCHEMBL9130548 0.87 CNR2 (0.46) TSHRPLA2G4BSMPD1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed