SCHEMBL7794952

SCHEMBL7794952

Cc1cc(C(C)CC(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA2 P00918 2/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HSPA5 P11021 1/20 0.46
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 5/20 0.45
HIF1A Q16665 3/20 0.45
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CYP2D6 P10635 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
GPR55 Q9Y2T6 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 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
SCHEMBL7792669 0.85 CYP3A4 (0.54) ALDH1A1CA2CYP2C9CYP2C19GLRA3
SCHEMBL7794794 0.84 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL6943219 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL29613277 0.80 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL2140233 0.80 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL15896006 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL1278621 0.78 GLRA3 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL10769690 0.78 GLRA3 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL6565099 0.77 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7796364 0.77 CA2 (0.48) ALDH1A1CA2CYP2C9CYP2C19HIF1A

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