SCHEMBL2048604

SCHEMBL2048604

CCCCc1ccc(-c2ccc3c(c2)[CH]c2cc(-c4ccc(CCCC)cc4)ccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.49
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
RARA P10276 2/20 0.43
RARG P13631 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
BDKRB2 P30411 1/20 0.41
HPGD P15428 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL2045018 0.89 MCL1 (0.46) RARBHSD17B10TSHRRARARARG
SCHEMBL2037494 0.85 SKP2 (0.48) HSD17B10ALDH1A1CA1CA2HPGD
SCHEMBL2052256 0.85 LPL (0.41) HSD11B1HPGD
SCHEMBL2051840 0.81 NPC1 (0.37) ALDH1A1MAPTBDKRB2NISCH
SCHEMBL5551587 0.80 RARB (0.67) RARBHSD17B10TSHRRARAALDH1A1
SCHEMBL28829434 0.80 RARB (0.67) RARBHSD17B10TSHRRARAALDH1A1
SCHEMBL19790012 0.80 RARB (0.55) RARBHSD17B10TSHRRARARARG
SCHEMBL27533095 0.79 SKP2 (0.43) HSD17B10ALDH1A1CA1CA2HPGD
SCHEMBL19790040 0.79 RARB (0.58) RARBHSD17B10TSHRRARARARG
SCHEMBL27633406 0.79 SKP2 (0.43) HSD17B10ALDH1A1CA1CA2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed