SCHEMBL7940320

SCHEMBL7940320

CCOc1c(C)cc(C(=O)OCCO)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
F2R P25116 1/20 0.34
LMNA P02545 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7941183 0.92 ESR1 (0.47) ESR1CA12CA1CA2CA7
SCHEMBL7944734 0.92 CA12 (0.39) ESR1CA12CA1CA2CA7
SCHEMBL7941461 0.91 ESR1 (0.47) ESR1F2RCYP4F2CYP4A11ALDH1A1
SCHEMBL7942462 0.86 ESR1 (0.41) ESR1GAAKMT2AF2RLMNA
SCHEMBL7943065 0.81 ESR1 (0.54) ESR1CA12CA1CA2CA7
SCHEMBL7944853 0.80 TNFRSF1A (0.45) GAAKMT2ALMNASCN1ASCN2A
SCHEMBL7792214 0.80 RXRA (0.39) MAPTLMNA
SCHEMBL16502258 0.80 RXRA (0.39) KMT2ALMNAALDH1A1
SCHEMBL7942361 0.79 RXRA (0.38) GAAKMT2AHSD17B10LMNAALDH1A1
SCHEMBL7940121 0.79 ESR1 (0.47) ESR1KMT2AF2RLMNASCN1A

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
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed