SCHEMBL9729845

SCHEMBL9729845

COc1ccc2c(c1)OCC(CN(O)C(N)=O)C2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.62
MTNR1A P48039 5/20 0.50
TP53 P04637 1/20 0.41
RIPK1 Q13546 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL9695945 0.78 ALOX5 (0.74) ALOX5MTNR1A
SCHEMBL9729641 0.76 ALOX5 (1.00) ALOX5
Formamide SCHEMBL9729847 0.75 MTNR1A (0.57) MTNR1ATP53
SCHEMBL9729564 0.74 ALOX5 (0.46) ALOX5MTNR1A
SCHEMBL4100146 0.74 MTNR1A (0.50) MTNR1A
SCHEMBL24440178 0.72 TP53 (0.51) MTNR1ATP53
SCHEMBL1519319 0.72 TP53 (0.51) MTNR1ATP53
SCHEMBL29633457 0.72 TP53 (0.51) MTNR1ATP53
SCHEMBL9729621 0.72 HTR1A (0.47) ALOX5
SCHEMBL9730076 0.72 ALOX5 (0.71) ALOX5MTNR1ALTB4RLTB4R2

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed