SCHEMBL8400748

SCHEMBL8400748

COc1c(COCCCCO)cccc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NR1H4 Q96RI1 1/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8401509 0.96 ALDH1A1 (0.36) ALDH1A1KDM4ENR1H4GAACA2
SCHEMBL7943125 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ENR1H4GAACA2
SCHEMBL7933794 0.83 CA2 (0.46) ALDH1A1KDM4ECA2SMN1; SMN2L3MBTL1
SCHEMBL6568787 0.82 ALOX5 (0.39) ALDH1A1KDM4ENR1H4CA2TDP1
SCHEMBL6565823 0.81 NR1H4 (0.38) ALDH1A1KDM4ENR1H4GAACA2
SCHEMBL7942559 0.80 HTT (0.32) ALDH1A1
SCHEMBL8397195 0.78 CA2 (0.47) ALDH1A1KDM4ECA2SMN1; SMN2TDP1
SCHEMBL16065587 0.77 NR1H4 (0.38) ALDH1A1KDM4ENR1H4CA2SMN1; SMN2
SCHEMBL16154153 0.77 CA2 (0.42) ALDH1A1KDM4ENR1H4CA2SMN1; SMN2
SCHEMBL7933641 0.76 ALDH1A1 (0.35) ALDH1A1TDP1

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-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