SCHEMBL7943101

SCHEMBL7943101

COc1c(C(C)(C)C)cc(CCC(=O)OCCO)cc1C(C)(C)C.COc1c(CCC(=O)OCCO)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NTRK1 P04629 1/20 0.33
DHFR P00374 1/20 0.32
VCAM1 P19320 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL8397208 0.94 RARG (0.36) ALOX5ALDH1A1TDP1RARGRXRA
SCHEMBL8397561 0.89 ALOX5 (0.43) ALOX5KMT2AALDH1A1GAATDP1
SCHEMBL7940443 0.87 VCAM1 (0.37) ALDH1A1TDP1RARGRXRAPPARG
SCHEMBL7942652 0.86 KMT2A (0.40) ALOX5KMT2AALDH1A1GAATDP1
SCHEMBL8430287 0.83 CYP4F2 (0.36) ALOX5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL7933544 0.83 RXRA (0.42) RARGRXRAPPARGCYP4F2CYP4A11
SCHEMBL7940250 0.83 ALOX5 (0.39) ALOX5KMT2AALDH1A1GAATDP1
SCHEMBL7940447 0.82 ALDH1A1 (0.44) ALOX5KMT2AALDH1A1GAATDP1
SCHEMBL7933984 0.82 ALDH1A1 (0.37) ALOX5ALDH1A1CYP4F2CYP4A11VCAM1
SCHEMBL7944826 0.82 VCAM1 (0.40) ALOX5GAADHFRVCAM1

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 1 patent. 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