SCHEMBL8423969

SCHEMBL8423969

Cc1cccc(CC2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
USP30 Q70CQ3 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCD5 Q86SK9 1/20 0.38
POLB P06746 1/20 0.38
GPR4 P46093 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 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
SCHEMBL8304915 0.90 L3MBTL1 (0.42) KDM1AGPR119USP30MAPTNPSR1
SCHEMBL7831649 0.82 GPR119 (0.49) KDM1AGPR119USP30CHRM2CHRM3
SCHEMBL7831085 0.78 ALDH1A1 (0.50) KDM1AGPR119TACR1OPRD1OPRK1
SCHEMBL19617505 0.78 USP2 (0.38) USP30TACR1OPRD1OPRK1SCD5
SCHEMBL7832576 0.77 GPR119 (0.48) KDM1AGPR119CHRM2CHRM3TACR1
SCHEMBL7839366 0.77 GPR119 (0.48) KDM1AGPR119CHRM2CHRM3TACR1
SCHEMBL7832066 0.76 GPR119 (0.47) KDM1AGPR119CHRM2CHRM3TACR1
SCHEMBL7831653 0.76 PKM (0.53) KDM1AGPR119TACR1OPRD1OPRK1
SCHEMBL7974238 0.75 L3MBTL1 (0.47) KDM1AGPR119TACR1OPRD1OPRK1
SCHEMBL26125344 0.73 MEN1 (0.40) GPR119TACR1OPRD1OPRK1

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
US-5965578-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-10-12 US disclosed