SCHEMBL7235286

SCHEMBL7235286

NN=Cc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
IDO1 P14902 2/20 0.40
GCGR P47871 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
PRMT5 O14744 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38
CARM1 Q86X55 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
POLB P06746 1/20 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
SCHEMBL2648036 0.84 MAPT (0.48) TACR1PTPN1PPARGPTPN2PTPN6
SCHEMBL7239605 0.82 PLAU (0.48) GCGRMRGPRX4POLBMAPTALDH1A1
SCHEMBL7235370 0.80 CCR5 (0.44) PTPN1GCGRPOLBMAPTALDH1A1
SCHEMBL2649711 0.80 GCGR (0.56) PPARGGCGRMRGPRX4MAPTALDH1A1
SCHEMBL7227813 0.79 GCGR (0.47) TACR1GCGRMRGPRX4
SCHEMBL2663924 0.76 MRGPRX4 (0.46) TACR1PTPN1PPARGPTPN2PTPN6
SCHEMBL7237910 0.75 ABCB1 (0.49) IDO1MRGPRX4MAPT
SCHEMBL2664349 0.75 GCGR (0.53) GCGRMAPT
SCHEMBL7235343 0.74 ALDH1A1 (0.52) IDO1PRMT5POLBMAPTALDH1A1
SCHEMBL7228342 0.74 ALDH1A1 (0.37) GCGRPRMT5POLBMAPTALDH1A1

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed