SCHEMBL7933917

SCHEMBL7933917

Cc1cc(C(C)(C)C)cc(C(=O)OCCO)c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
SERPINE1 P05121 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
SCHEMBL7941411 0.87 NR5A2 (0.49) ALDH1A1KDM4EGLAHPGDCASP1
SCHEMBL7942623 0.82 KMT2A (0.38) ALDH1A1KDM4EGLAHPGDCASP1
SCHEMBL7933809 0.80 GAA (0.38) ALDH1A1KDM4EGLAHPGDCASP1
SCHEMBL7942933 0.78 SMN1; SMN2 (0.49) ALDH1A1KDM4EGLAHPGDCASP1
SCHEMBL7940184 0.75 RXRA (0.46) ALDH1A1KDM4EGLAHPGDCASP1
SCHEMBL7943065 0.75 ESR1 (0.54) ESR1SERPINE1
SCHEMBL7942389 0.74 CYP2C19 (0.39) ALDH1A1TDP1
SCHEMBL7944807 0.74 CA12 (0.49) ESR1ALDH1A1TDP1SERPINE1
SCHEMBL6971420 0.74 GAA (0.47) ALDH1A1KDM4EHPGDHSD17B10NR5A2
SCHEMBL7943266 0.73 RXRA (0.50) HSD17B10NR5A2NR5A1

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 2 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