SCHEMBL8304853

SCHEMBL8304853

O=C(O)C(O)=Cc1sccc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
AKR1C3 P42330 1/20 0.31
PTPN2 P17706 2/20 0.30
PTPRB P23467 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL8304851 1.00 KDR (0.39) KDRPOLBCA12CA1CA2
SCHEMBL8307744 0.77 NPC1 (0.47) POLB
SCHEMBL8307742 0.77 NPC1 (0.47) POLB
SCHEMBL9756843 0.73 AKR1C3 (0.47) KDRPOLBCA12CA1CA2
SCHEMBL9756842 0.73 AKR1C3 (0.47) KDRPOLBCA12CA1CA2
SCHEMBL964511 0.70
SCHEMBL12074783 0.69 KDR (0.40) KDRPOLB
SCHEMBL15220007 0.69 KDR (0.33) KDRPOLB
Bicarbonate SCHEMBL6964764 0.66 POLB (0.40) POLBCA12CA1CA2CA7
SCHEMBL7045346 0.65 POLB (0.49) KDRPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581250-B1 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AG (DE) 1999-03-03 EP disclosed
US-5780640-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5688672-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5480786-A Process for the biotechnological preparation of l-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
EP-0581250-A2 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed