SCHEMBL9730076

SCHEMBL9730076

NC(=O)N(O)CC1COc2ccc(-c3ccccc3)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.71
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
HTR7 P34969 1/20 0.38
MTNR1A P48039 2/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL9729641 0.83 ALOX5 (1.00) ALOX5
Formamide SCHEMBL9729549 0.74 MTNR1A (0.45) ALOX5ITGB3ITGA2BLTB4RLTB4R2
SCHEMBL9729845 0.72 ALOX5 (0.62) ALOX5LTB4RLTB4R2MTNR1A
SCHEMBL9730306 0.72 ALOX5 (0.80) ALOX5MTNR1A
SCHEMBL9695903 0.65 ALOX5 (1.00) ALOX5MTNR1A
SCHEMBL11453851 0.65 SMN1; SMN2 (0.50) HRH3
SCHEMBL6554194 0.64 ITGB3 (0.57) ALOX5ITGB3ITGA2BLTB4RLTB4R2
SCHEMBL9382006 0.64 ALOX5 (0.62) ALOX5
SCHEMBL9382003 0.64 ALOX5 (0.62) ALOX5
SCHEMBL6554201 0.64 ITGB3 (0.57) ALOX5ITGB3ITGA2BLTB4RLTB4R2

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