SCHEMBL8921111

SCHEMBL8921111

O=C(O)C=Cc1ccc(Cc2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.68
HCAR2 Q8TDS4 2/20 0.63
CA12 O43570 2/20 0.63
AKR1B10 O60218 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA3 P07451 2/20 0.63
AKR1B1 P15121 2/20 0.63
CA4 P22748 2/20 0.63
CA6 P23280 2/20 0.63
DPP4 P27487 2/20 0.63
CA5A P35218 2/20 0.63
CA7 P43166 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 2/20 0.63
CA5B Q9Y2D0 2/20 0.63
ESR1 P03372 2/20 0.63
ESR2 Q92731 2/20 0.63
PKM P14618 1/20 0.63
TYR P14679 1/20 0.63

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
SCHEMBL2772402 0.94 TBXAS1 (0.71) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL459101 0.94 TBXAS1 (0.71) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL68395 0.86 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL713717 0.86 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL14081549 0.86 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2300813 0.85 HCAR2 (0.61) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL2300815 0.85 HCAR2 (0.61) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL27698116 0.85 HCAR2 (0.61) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL18662489 0.84 HCAR2 (0.77) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL8378608 0.84 HCAR2 (0.77) TBXAS1HCAR2CA12AKR1B10CA1

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-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed