SCHEMBL10051474

SCHEMBL10051474

CC(=O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.32
CYP1A2 P05177 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PIN1 Q13526 1/20 0.32

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
SCHEMBL24448592 0.88 KMT2A (0.36) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL10076575 0.83 CASP3 (0.41) KMT2AEPHX2CASP3PIN1
SCHEMBL13007532 0.79 HTR2A (0.34)
SCHEMBL18949190 0.79 HTR2A (0.31) CA1CA2
SCHEMBL29608029 0.77 KMT2A (0.55) KMT2APOLBFABP5FABP7EPHX2
SCHEMBL410205 0.77 KMT2A (0.55) KMT2APOLBFABP5FABP7EPHX2
SCHEMBL13715647 0.76 HTR2A (0.34)
SCHEMBL26761659 0.76 MDM4 (0.38) CASP3
SCHEMBL22995984 0.76 KMT2A (0.36) KMT2AEPHX2
SCHEMBL27256575 0.76 MDM4 (0.42) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536700-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES Ambrx, Inc. (US) 2019-09-11 EP disclosed
WO-2017161325-A1 METHODS FOR IDENTIFYING AND MODULATING CO-OCCURANT CELLULAR PHENOTYPES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-21 WO disclosed
EP-1926757-B1 ANTIBODY-COMB POLYMER CONJUGATE UCB PHARMA SA (BE) 2012-02-22 EP disclosed