SCHEMBL9738306

SCHEMBL9738306

NC(=O)COC1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.48
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.44
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MGLL Q99685 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9266948 0.90 TBXA2R (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9254047 0.90 TBXA2R (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9254044 0.90 TBXA2R (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9252366 0.88 MMP1 (0.48) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9260852 0.86 TSHR (0.50) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9260856 0.86 TSHR (0.50) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9264642 0.84 TBXA2R (0.53) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9255832 0.81 TBXA2R (0.50) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9501974 0.81 CNR1 (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9263239 0.79 TBXA2R (0.46) TBXA2RALDH1A1PKMTHRBKMT2A

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-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed