SCHEMBL2832835

SCHEMBL2832835

CC(C)c1cc(-c2cc(C(C)C)c(OCCCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCCCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL2831550 0.95 ALDH1A1 (0.37) SRD5A2ALDH1A1CA1CA2MEN1
SCHEMBL2829264 0.92 SRD5A2 (0.37) SRD5A2ALDH1A1CA1CA2MEN1
SCHEMBL2833175 0.88 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL2832687 0.88 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2834992 0.85 TP53 (0.39) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL2829851 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL2833273 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL2836085 0.82 ALDH1A1 (0.43) SRD5A2ALDH1A1CA1CA2MEN1
SCHEMBL2832845 0.82 TSHR (0.41) SRD5A2ALDH1A1CA1CA2MEN1
SCHEMBL2832130 0.81 TP53 (0.38) ALDH1A1MEN1KMT2ATSHRTP53

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed