SCHEMBL11068112

SCHEMBL11068112

CNC(=O)CCCCCCCn1c(-c2cccnc2)c(C)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.79
CYP11B2 P19099 2/20 0.53
FAAH O00519 1/20 0.52
HDAC1 Q13547 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
Hydrochloric Acid SCHEMBL7829663 0.91 TBXAS1 (0.78) TBXAS1CYP11B2HDAC1HDAC6HDAC3
SCHEMBL3513494 0.89 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11006075 0.89 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11009473 0.89 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11009385 0.88 TBXAS1 (0.85) TBXAS1CYP11B2HDAC1HDAC6MAPT
SCHEMBL11010003 0.88 TBXAS1 (0.79) TBXAS1CYP11B2FAAHHDAC1HDAC6
SCHEMBL11067365 0.88 TBXAS1 (0.79) TBXAS1CYP11B2FAAHHDAC1HDAC6
SCHEMBL11007597 0.87 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11074372 0.85 TBXAS1 (0.78) TBXAS1CYP11B2FAAH
SCHEMBL11009883 0.84 TBXAS1 (0.76) TBXAS1CYP11B2MAPTMAOAMAOB

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-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed
US-4460777-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed