SCHEMBL11201930

SCHEMBL11201930

OCCCCC=CCCn1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.55
EGLN3 Q9H6Z9 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1493160 0.81 TBXAS1 (0.75) TBXAS1EGLN3CYP1A2CYP3A4CYP2D6
SCHEMBL3225053 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL3468871 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL9348072 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL3795568 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL6265445 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL4684954 0.80 TBXAS1 (0.79) TBXAS1
Bromide SCHEMBL18941391 0.80 TBXAS1 (0.72) TBXAS1EGLN3
SCHEMBL9001 0.79
Bromide SCHEMBL28424328 0.78 TBXAS1 (0.76) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033432-B1 THERAPEUTIC COMPOSITION BASED ON IMIDAZOLES, ESPECIALLY FOR THE TREATMENT OF THROMBOSES; IMIDAZOLES AND PROCESS FOR THEIR PREPARATION LABORATOIRES CHAUVIN-BLACHE Société dite: (FR) 1983-09-28 EP claimed
EP-0033432-A1 Therapeutic composition based on imidazoles, especially for the treatment of thromboses; imidazoles and process for their preparation LABORATOIRES CHAUVIN-BLACHE Société dite: (FR) 1981-08-12 EP claimed
EP-0033432-B1 THERAPEUTIC COMPOSITION BASED ON IMIDAZOLES, ESPECIALLY FOR THE TREATMENT OF THROMBOSES; IMIDAZOLES AND PROCESS FOR THEIR PREPARATION LABORATOIRES CHAUVIN-BLACHE Société dite: (FR) 1983-09-28 EP disclosed
EP-0033432-A1 Therapeutic composition based on imidazoles, especially for the treatment of thromboses; imidazoles and process for their preparation LABORATOIRES CHAUVIN-BLACHE Société dite: (FR) 1981-08-12 EP disclosed