SCHEMBL2835781

SCHEMBL2835781

CCC(C)(C)c1cc(Cc2cc(C(C)(C)CC)c(OCCCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCCCC1CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
CYP1A2 P05177 1/20 0.30
PPARG P37231 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
SCHEMBL2832942 0.96 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2829690 0.93 MEN1 (0.32) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2832552 0.92 MEN1 (0.34) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2829811 0.89 MEN1 (0.31) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2836072 0.89 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2828909 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2830331 0.87 CYP3A4 (0.40) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2829813 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2836562 0.86 MAPT (0.38) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2829263 0.85 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A

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