SCHEMBL12470856

SCHEMBL12470856

CC1(C)CC(C(=O)c2ccc(NCCC(=O)O)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
GCG P01275 10/20 0.38
HPGD P15428 1/20 0.37
APLNR P35414 1/20 0.36
FFAR1 O14842 1/20 0.36
GCGR P47871 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL12470860 0.83 CA1 (0.49) GCGGCGRCA1CA2
SCHEMBL12470824 0.83 POLB (0.40) POLBALDH1A1HSD17B10MEN1MAPT
SCHEMBL11901181 0.75 SRD5A2 (0.51) POLBALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL12071918 0.73 POLB (0.69) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL1485848 0.71 POLB (0.65) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL3214608 0.70 POLB (0.64) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL10422269 0.69 POLB (0.63) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL2703268 0.68 POLB (0.61) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL3129089 0.68 POLB (0.61) POLBALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL18158251 0.68 POLB (0.74) POLBALDH1A1SMN1; SMN2HTTMEN1

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-2673260-A1 GLUCAGON RECEPTOR MODULATOR Pfizer Inc (US) 2013-12-18 EP disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 WO disclosed