SCHEMBL7933595

SCHEMBL7933595

COc1c(C(C)(C)C)cc(COCCO)c(C)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNFRSF1A P19438 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DHFR P00374 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PTGS2 P35354 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
SCHEMBL7942460 0.92 ALDH1A1 (0.36) ALDH1A1TSHRTDP1TNFRSF1A
SCHEMBL7933641 0.91 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL7943106 0.84 HSPA5 (0.38) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL8397544 0.81 RARG (0.35) ALDH1A1TSHRTDP1SMN1; SMN2DHFR
SCHEMBL7940191 0.81 HSPA5 (0.41) ALDH1A1TSHRTDP1SMN1; SMN2DHFR
SCHEMBL7933963 0.78 ALDH1A1 (0.31) ALDH1A1TSHRTDP1DHFR
SCHEMBL7940306 0.78 KMT2A (0.46) ALDH1A1TSHR
SCHEMBL7940053 0.77 DHFR (0.40) ALDH1A1TSHRTDP1TNFRSF1ASMN1; SMN2
SCHEMBL7940078 0.76 HSPA5 (0.36) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL8397543 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTDP1SMN1; SMN2DHFR

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