SCHEMBL2648036

SCHEMBL2648036

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
PTPN1 P18031 4/20 0.44
PPARG P37231 2/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT5 O14744 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
CARM1 Q86X55 1/20 0.40
IDO1 P14902 2/20 0.40
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39
TACR1 P25103 6/20 0.39

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
SCHEMBL2663924 0.92 MRGPRX4 (0.46) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL2663789 0.88 PTPN1 (0.45) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL7235286 0.84 TACR1 (0.42) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL23673331 0.83 ALDH1A1 (0.53) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL2650190 0.82 SMN1; SMN2 (0.43) MAPTMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL3269301 0.80 MAPT (0.59) MAPTMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL2664435 0.78 GCGR (0.54) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL3269606 0.78 SMN1; SMN2 (0.47) MAPTPOLBPPARGNPC1RAB9A
SCHEMBL18002701 0.77 POLB (0.49) MAPTPOLBPTPN1PPARGPTPN2
SCHEMBL3271842 0.77 MAOB (0.52) MAPTMRGPRX4NPC1RAB9ASMN1; SMN2

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 3 patents. 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
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed