SCHEMBL14192557

SCHEMBL14192557

C=CC(=O)Cc1ccc(OCOc2ccc3cc(C(=O)Oc4ccc(CC(=O)C=C)cc4)ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PRSS1 P07477 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TMPRSS2 O15393 2/20 0.38
KLK1 P06870 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
JAK1 P23458 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14192431 0.90 PRSS1 (0.45) THRBKMT2AMAPTPRSS1TMPRSS2
SCHEMBL14192546 0.87 MAPT (0.48) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL14192596 0.84 MAPT (0.44) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17754319 0.83 KMT2A (0.41) KMT2AMAPTMEN1ALDH1A1PRSS1
SCHEMBL14192443 0.82 TMPRSS15 (0.40) THRBKMT2AMAPTMEN1TDP1
SCHEMBL12242718 0.81 THRB (0.40) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL9906563 0.80 THRB (0.41) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL12733745 0.79 KMT2A (0.42) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17364494 0.77 KMT2A (0.52) KMT2AMAPTPRSS1TMPRSS2KLK1
SCHEMBL16920540 0.76 F2 (0.48) KMT2AMAPTALDH1A1PRSS1TMPRSS2

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-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed