SCHEMBL16882976

SCHEMBL16882976

Oc1ccc(Sc2ccc3c(c2)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ NR1H2 P55055 1/20 0.44
▸ PDK2 Q15119 3/20 0.40
▸ GPR55 Q9Y2T6 3/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL16882971 0.88 HPGD (0.49) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL27951063 0.85 MEN1 (0.53) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL20198312 0.85 MAOA (0.44) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL18386003 0.83 MEN1 (0.60) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL18386040 0.83 MEN1 (0.60) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL18386013 0.83 MEN1 (0.60) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL45826 0.83 MEN1 (0.63) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL900116 0.83 MEN1 (0.63) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL29365596 0.83 MEN1 (0.63) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL15691572 0.83 MEN1 (0.63) ESR1ESR2MEN1KMT2ALMNA

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
EP-2186799-B1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORP (JP) 2015-07-08 — — EP disclosed
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