SCHEMBL27892091

SCHEMBL27892091

CC(C)CC(CO)c1ccc(C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.47
GCG P01275 8/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
FABP4 P15090 1/20 0.45
GCGR P47871 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL27742353 0.85 MAPK1 (0.55) MAPK1CA1CA2NPC1RAB9A
SCHEMBL27678805 0.84 MAPK1 (0.57) MAPK1CA1CA2NPC1RAB9A
SCHEMBL2655859 0.82 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2HPGDGCG
SCHEMBL27742355 0.81 MAPK1 (0.55) MAPK1CA1CA2SMN1; SMN2CYP1A2
SCHEMBL9717451 0.78 MAPK1 (0.85) MAPK1CA1CA2HPGDCYP1A2
SCHEMBL5658746 0.75 MAPK1 (0.72) MAPK1CA1CA2SMN1; SMN2CYP1A2
SCHEMBL7735007 0.74 MAPK1 (0.72) MAPK1CA1CA2NPC1RAB9A
SCHEMBL27658591 0.74 MAPK1 (0.57) MAPK1CA1CA2NPC1RAB9A
SCHEMBL2973531 0.73 MAPK1 (0.60) MAPK1CA1CA2NPC1RAB9A
SCHEMBL23794423 0.73 MAPK1 (0.74) MAPK1CA1CA2HPGDCYP1A2

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
CN-101309894-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2012-10-03 CN disclosed
CN-101309894-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-11-19 CN disclosed