SCHEMBL7933641

SCHEMBL7933641

COc1c(C(C)(C)C)cc(COCCCCO)c(C)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2R P25116 3/20 0.34
VCAM1 P19320 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL7942460 0.96 ALDH1A1 (0.36) ALDH1A1TSHRTDP1F2RVCAM1
SCHEMBL7933595 0.91 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL7942997 0.85 HSPA5 (0.36) ALDH1A1TSHRVCAM1CYP3A4CYP4F2
SCHEMBL7940078 0.81 HSPA5 (0.36) ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL7933929 0.79 DHFR (0.37) ALDH1A1TSHRTDP1F2RVCAM1
SCHEMBL8400748 0.76 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL7943106 0.75 HSPA5 (0.38) ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL7940306 0.75 KMT2A (0.46) ALDH1A1TSHRCYP3A4
SCHEMBL7942551 0.75 DHFR (0.38) ALDH1A1TSHRTDP1VCAM1CYP3A4
SCHEMBL7933963 0.72 ALDH1A1 (0.31) ALDH1A1TSHRTDP1

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-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed