SCHEMBL8542496

SCHEMBL8542496

COC(COc1ccc2c(c1)CCNC2=O)OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 8/20 0.51
PARP10 Q53GL7 8/20 0.51
GRM5 P41594 5/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
PARP1 P09874 2/20 0.42
PDPK1 O15530 1/20 0.42
KCNA5 P22460 1/20 0.42
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41

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
SCHEMBL21040262 0.82 PARP11 (0.55) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL30527041 0.82 PARP11 (0.55) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL8323443 0.80 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL379341 0.80 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL19574541 0.80 PARP11 (0.55) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL1036450 0.77 KCNA5 (0.53) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL25597402 0.76 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL8545541 0.76 ADRA2A (0.59) PARP11PARP10GRM5GABRG2GABRB3
Hydrochloric Acid SCHEMBL12502617 0.76 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL1239440 0.76 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed