SCHEMBL2312695

SCHEMBL2312695

CCCCCCc1cc(C(=O)OC)ccc1-c1c2nc(c(-c3ccc(C(=O)OC)cc3)c3ccc(cc4nc(c(CCCCCC)c5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ TOP1 P11387 3/20 0.37
▸ CYCS P99999 4/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ RHEB Q15382 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL2319605 0.85 ABCG2 (0.56) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL2342864 0.85 ABCG2 (0.56) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL2319612 0.85 ABCG2 (0.56) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL2318530 0.85 ABCG2 (0.56) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL2364029 0.84 TOP1 (0.55) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL12893300 0.84 ABCG2 (0.57) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL13547831 0.79 STAT3 (0.56) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL24689574 0.79 ABCG2 (0.50) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL12392098 0.79 ABCG2 (0.50) ABCG2TOP1CYCSMEN1KMT2A
SCHEMBL17688989 0.79 ABCG2 (0.50) ABCG2TOP1CYCSMEN1KMT2A

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
EP-2350058-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CeramOptec GmbH (DE) 2011-08-03 — — EP disclosed
WO-2010033678-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. (US) 2010-03-25 — — WO disclosed
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