SCHEMBL2656549

SCHEMBL2656549

CC(CCc1ccc(C(=O)O)cc1)CNc1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NR1H4 Q96RI1 7/20 0.48
EPHX2 P34913 3/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
NR4A2 P43354 1/20 0.44
RXRG P48443 1/20 0.44
SRD5A2 P31213 1/20 0.43
RARB P10826 2/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2653879 0.86 GCGR (0.57) NR1H4EPHX2
SCHEMBL2654483 0.79 RXRA (0.60) NR1H4EPHX2PTGESALOX5RXRA
SCHEMBL10629599 0.76 NR1H4 (0.57) CA1CA2NR1H4EPHX2PTGES
SCHEMBL8461643 0.76 CA1 (0.74) CA1CA2NR1H4EPHX2RXRA
SCHEMBL2657987 0.74 NR1H4 (0.59) NR1H4EPHX2
SCHEMBL11358358 0.74 RARB (0.61) RXRARXRBRARBMMP2MMP3
SCHEMBL2657509 0.73 ROCK2 (0.41) EPHX2MAPT
SCHEMBL2053275 0.73 SRD5A2 (0.77) CA1CA2NR1H4EPHX2PTGES
SCHEMBL11654726 0.72 RARB (0.62) RXRARXRBRARBMEN1MAPT
SCHEMBL2654908 0.72 GCGR (0.46) EPHX2MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951661-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-08-06 EP disclosed
WO-2007106181-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-09-20 WO disclosed