SCHEMBL11074372

SCHEMBL11074372

CCOC(=O)CCCCCn1c(-c2cccnc2)c(C)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.78
CYP11B2 P19099 1/20 0.52
FAAH O00519 3/20 0.51
CTNNB1 P35222 1/20 0.49
TNF P01375 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL11067365 0.91 TBXAS1 (0.79) TBXAS1CYP11B2FAAH
SCHEMBL11010003 0.91 TBXAS1 (0.79) TBXAS1CYP11B2FAAH
SCHEMBL3513494 0.88 TBXAS1 (1.00) TBXAS1CYP11B2ALDH1A1
SCHEMBL11009473 0.88 TBXAS1 (1.00) TBXAS1CYP11B2ALDH1A1
SCHEMBL11006075 0.88 TBXAS1 (1.00) TBXAS1CYP11B2ALDH1A1
SCHEMBL11009385 0.87 TBXAS1 (0.85) TBXAS1CYP11B2ALDH1A1
SCHEMBL11007597 0.86 TBXAS1 (1.00) TBXAS1CYP11B2ALDH1A1
SCHEMBL9237199 0.86 TBXAS1 (0.58) TBXAS1FAAHCTNNB1TNFMEN1
SCHEMBL11068897 0.85 TBXAS1 (0.62) TBXAS1CYP11B2CTNNB1MEN1KMT2A
SCHEMBL11068112 0.85 TBXAS1 (0.79) TBXAS1CYP11B2FAAH

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 1 patent. 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