SCHEMBL9247342

SCHEMBL9247342

C=CCNc1ccc(C=C(C)c2ccc(NCC=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 8/20 0.41
PTGS1 P23219 7/20 0.41
NQO2 P16083 6/20 0.41
HCAR3 P49019 2/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8422584 0.81 ESR1 (0.55) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL99646 0.75 CA12 (0.65) CA12CA1CA2CA9HCAR3
SCHEMBL8422587 0.74 ESR1 (0.61) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL6003024 0.74 CA12 (0.55) CA12CA1CA2CA9HCAR3
SCHEMBL9145022 0.74 PTGS2 (0.56) ESR1ESR2CA12CA1CA2
SCHEMBL9145013 0.74 PTGS2 (0.56) ESR1ESR2CA12CA1CA2
SCHEMBL1521413 0.73 CA12 (0.55) CA12CA1CA2CA9HCAR3
SCHEMBL877744 0.72 HCAR3 (0.58) CA12CA1CA2CA9HCAR3
SCHEMBL1458957 0.71 MEN1 (0.59) CA1CA2KDM4EMAPTHPGD
SCHEMBL7199847 0.71 CA12 (0.56) CA12CA1CA2CA9HCAR3

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-5414125-A Epoxy resin curing agent THE DOW CHEMICAL COMPANY (US) 1995-05-09 US claimed