SCHEMBL7913684

SCHEMBL7913684

O=C(O)C=Cc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.65
SRD5A2 P31213 1/20 0.61
HSD11B1 P28845 1/20 0.60
HCAR2 Q8TDS4 2/20 0.55
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
CA12 O43570 1/20 0.55
AKR1B10 O60218 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
PKM P14618 1/20 0.55
TYR P14679 1/20 0.55
AKR1B1 P15121 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
DPP4 P27487 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL17188516 1.00 TNFRSF1A (0.65) TNFRSF1ASRD5A2HSD11B1HCAR2ESR1
SCHEMBL16024192 0.90 SRD5A2 (0.71) TNFRSF1ASRD5A2HCAR2ESR1ESR2
SCHEMBL3476254 0.90 HSD11B1 (0.72) TNFRSF1AHSD11B1HCAR2ESR1ESR2
SCHEMBL81378 0.90 HSD11B1 (0.72) TNFRSF1AHSD11B1HCAR2ESR1ESR2
SCHEMBL81379 0.90 HSD11B1 (0.72) TNFRSF1AHSD11B1HCAR2ESR1ESR2
Hydrochloric Acid SCHEMBL4823034 0.88 HSD11B1 (0.69) TNFRSF1AHSD11B1HCAR2ESR1ESR2
Hydrochloric Acid SCHEMBL27954233 0.88 HSD11B1 (0.69) TNFRSF1AHSD11B1HCAR2ESR1ESR2
SCHEMBL15828340 0.88 HSD11B1 (0.69) TNFRSF1AHSD11B1HCAR2ESR1ESR2
SCHEMBL3731921 0.85 HSD11B1 (0.64) TNFRSF1AHSD11B1HCAR2ESR1ESR2
SCHEMBL10386290 0.85 SRD5A2 (0.75) TNFRSF1ASRD5A2HCAR2ESR1ESR2

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-6218501-B1 N-HYDROXYHYDROCARBYL-SUBSTITUTED MALEIMIDE POLYMER OR POLYIMIDE ESTERIFIED WITH CINNAMIC ACID DERIVATIVE CHEIL INDUSTRIES INC. (KR) 2001-04-17 US disclosed