SCHEMBL7546130

SCHEMBL7546130

CC(=O)Oc1ccc(C2CCN(C(C)=O)C2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.41
LMNA P02545 1/20 0.39
ELANE P08246 1/20 0.39
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL22926184 0.88 MC4R (0.51) MC4RPOLBGAAMEN1KMT2A
SCHEMBL20805978 0.88 MC4R (0.51) MC4RPOLBGAAMEN1KMT2A
SCHEMBL5657812 0.83 ITGA4 (0.44) MC4RLMNAPOLBTACR1
SCHEMBL5657809 0.83 ITGA4 (0.44) MC4RLMNAPOLBTACR1
SCHEMBL5972730 0.83 ITGA4 (0.44) MC4RLMNAPOLBTACR1
SCHEMBL2297284 0.83 POLB (0.56) MC4RLMNAPOLBNPSR1TACR1
SCHEMBL830669 0.83 POLB (0.56) MC4RLMNAPOLBNPSR1TACR1
SCHEMBL830668 0.83 POLB (0.56) MC4RLMNAPOLBNPSR1TACR1
SCHEMBL13093279 0.76 SLC6A4 (0.48) MC4RTACR1
SCHEMBL16350188 0.74 POLB (0.56) MC4RPOLBNPSR1TACR1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed