SCHEMBL9256799

SCHEMBL9256799

O=C(O)C[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.54
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL9253452 1.00 TBXA2R (0.54) TBXA2RTHRBMEN1KMT2AALDH1A1
SCHEMBL9259912 1.00 TBXA2R (0.54) TBXA2RTHRBMEN1KMT2AALDH1A1
SCHEMBL9255874 0.92 TBXA2R (0.55) TBXA2RTHRBMEN1KMT2AALDH1A1
SCHEMBL9264642 0.88 TBXA2R (0.53) TBXA2RTHRBMEN1KMT2AALDH1A1
SCHEMBL9266170 0.87 ALDH1A1 (0.57) MEN1KMT2AALDH1A1NPSR1
SCHEMBL9259550 0.87 MEN1 (0.57) TBXA2RTHRBMEN1KMT2AALDH1A1
SCHEMBL9261669 0.87 MMP1 (0.51) MEN1KMT2AALDH1A1GAAPPARG
SCHEMBL9261756 0.86 FABP4 (0.52) TBXA2RALDH1A1
Bicarbonate SCHEMBL9501977 0.85 TBXA2R (0.55) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9264579 0.85 KMT2A (0.45) TBXA2RMEN1KMT2AALDH1A1

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-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed