SCHEMBL11073702

SCHEMBL11073702

COC(=O)CCCCc1ccc[n+]([O-])c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 13/20 0.49
TBXAS1 P24557 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
HPGD P15428 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
SCHEMBL30349563 0.80 CYP4F2 (0.45) GPR84
SCHEMBL117432 0.78 MAPT (0.61) CA12CA7CA9CA14
SCHEMBL11074055 0.77 TSHR (0.45) CA12CA7CA9CA14HPGD
SCHEMBL8662111 0.77 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL20717644 0.77 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL9764517 0.77 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL9404041 0.77 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL9219599 0.77 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL29048467 0.77 MAPT (0.65) CA12CA7CA9CA14
Bromide SCHEMBL28931279 0.77 MAPT (0.59) CA12CA7CA9CA14

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-4470986-A ISCHEMIA, SHOCK, THROMBOSIS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
US-4444775-A ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed