SCHEMBL7940198

SCHEMBL7940198

COc1c(C(C)(C)C)cc(CCO)cc1C1(C)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
DHFR P00374 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL6567008 0.93 TNKS2 (0.36) RARARARBRARGDHFR
SCHEMBL7942372 0.85 CYP26B1 (0.39) RARARARBRARGALDH1A1PTGDR
SCHEMBL7933946 0.85 ALDH1A1 (0.36) RARARARBRARGALDH1A1TDP1
SCHEMBL6567296 0.83 GLA (0.35) RARARARBRARGPTGDRPTGDR2
SCHEMBL7933369 0.83 ALDH1A1 (0.41) KDM4EALDH1A1TDP1GLATSHR
SCHEMBL7940452 0.82 PTGDR (0.41) RARARARBRARGALDH1A1TDP1
SCHEMBL8397560 0.82 KMT2A (0.39) RARARARBRARGALDH1A1PTGDR
SCHEMBL6568848 0.81 RARB (0.36) RARARARBRARGDHFRPTGDR
SCHEMBL6567279 0.79 DHFR (0.43) DHFRKDM4EALDH1A1TDP1TSHR
SCHEMBL6568837 0.78 CNR2 (0.34) RARARARBRARGGLATSHR

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