SCHEMBL2654945

SCHEMBL2654945

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)O)cc2)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
RXRB P28702 4/20 0.38
RXRG P48443 3/20 0.38
NR4A2 P43354 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL2654449 0.89 CYP4A11 (0.40) NPC1RAB9ASMN1; SMN2TP53CYP4F2
SCHEMBL2655814 0.82 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2654191 0.74 PPARD (0.42) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL1765594 0.71 GCG (0.38) RXRARXRBRXRGMRGPRX4
SCHEMBL2655045 0.70 CCR6 (0.44) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL16011537 0.66 ALDH1A1 (0.42)
Benzoic Acid SCHEMBL7829041 0.66 CHRNB2 (0.49)
SCHEMBL427869 0.66 HCAR2 (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL6396317 0.66 ALDH1A1 (0.55) RXRARXRBNR4A2SMN1; SMN2TP53
SCHEMBL2654694 0.64 CYP4A11 (0.47) NPC1RAB9ASMN1; SMN2TP53MEN1

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed