SCHEMBL10987553

SCHEMBL10987553

Cn1c(-c2cccnc2)c(CCCCCCC(C(=O)O)C(=O)O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.60
CYP11B2 P19099 2/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
TACR1 P25103 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
EGFR P00533 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL10373156 0.90 TBXAS1 (0.54) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL9768495 0.87 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10373326 0.87 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10375582 0.87 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10373582 0.85 CYP11B2 (0.61) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10371978 0.84 TBXAS1 (0.58) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10371976 0.84 TBXAS1 (0.58) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10372285 0.82 TBXAS1 (0.61) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10372070 0.82 CYP11B2 (0.61) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10
SCHEMBL10372084 0.82 CYP11B2 (0.57) TBXAS1CYP11B2ALDH1A1HPGDHSD17B10

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-4511573-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-04-16 US disclosed
EP-0129051-A2 Substituted indoles CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed