SCHEMBL2666434

SCHEMBL2666434

CC(C)/C=C\c1cc(OC(C)C)cc(C(=O)Nc2ncc(COO)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 13/20 0.44
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SCD O00767 3/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ CSNK2A2 P19784 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36

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
SCHEMBL2664563 0.83 GCK (0.46) GCKRARARARBRARGCSNK2A2
SCHEMBL13703963 0.75 GCK (0.39) GCKRARARARBRARGCSNK2A2
SCHEMBL13870309 0.74 GCK (0.58) GCKRARARARBRARG
SCHEMBL2664562 0.72 GCK (0.46) GCKRARARARBRARGCSNK2A2
SCHEMBL19774516 0.71 GCK (0.66) GCK
SCHEMBL2666387 0.71 PARP10 (0.49) GCKALDH1A1TSHR
SCHEMBL2664771 0.70 GCK (0.43) GCKALDH1A1TSHRRARARARB
SCHEMBL1261486 0.70 GCK (0.47) GCKRARARARBRARGCSNK2A2
SCHEMBL3605637 0.70 GCK (0.68) GCK
SCHEMBL2664777 0.70 GCK (0.55) GCKRARARARBRARG

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
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 — — WO disclosed
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