SCHEMBL3916035

SCHEMBL3916035

C=C(C)CC(C(=O)OC)c1cc(-c2ccccc2)cc(OCc2ccccc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.41
PTPN6 P29350 4/20 0.41
PTPN2 P17706 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KIFC1 Q9BW19 1/20 0.39
SMPD1 P17405 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MGLL Q99685 1/20 0.37
BRD4 O60885 1/20 0.37
S1PR1 P21453 2/20 0.36

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
SCHEMBL2896742 0.91 PSEN1 (0.42) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27702994 0.79 PSEN1 (0.58) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27684238 0.79 PSEN1 (0.58) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27684239 0.79 PSEN1 (0.58) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27793376 0.78 PTPN1 (0.46) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27703014 0.78 PTPN1 (0.47) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL2904877 0.78 CSNK2B (0.36) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL491320 0.77 PSEN1 (0.67) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27829116 0.74 PTPN1 (0.34) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL27684198 0.73 ALDH1A1 (0.49) PTPN1PTPN6PTPN2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed