SCHEMBL11430010

SCHEMBL11430010

CC(CCO)CCCC(C)(C)OOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL11547425 0.80 ALDH1A1 (0.42) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL10716994 0.80 ALOX15 (0.36) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL11553781 0.77 ALOX15 (0.34) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL21347011 0.76 ALOX15 (0.33) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL11344819 0.76 ALOX15 (0.36) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL10714802 0.75 ALDH1A1 (0.30) ALDH1A1CYP3A4TDP1
SCHEMBL11763336 0.74 ALOX15 (0.41) ALOX15ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL9070171 0.74 TSHR (0.32) TSHRTDP1
SCHEMBL8613416 0.74 TSHR (0.44) TSHRTDP1
SCHEMBL1703683 0.73 TSHR (0.50) TSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4218548-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1980-08-19 US disclosed
US-4180518-A CROSSLINKING OR VULCANIZING AGENTS PENNWALT CORPORATION (US) 1979-12-25 US disclosed
US-4177204-A AGENTS FOR CROSSLINKING OR VULCANIZING POLYMERS PENNWALT CORPORATION (US) 1979-12-04 US disclosed
US-4129700-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1978-12-12 US disclosed