SCHEMBL8783153

SCHEMBL8783153

COc1ccc(C)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
S1PR1 P21453 2/20 0.48
S1PR5 Q9H228 2/20 0.48
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 2/20 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
SCHEMBL8314202 0.90 DRD2 (0.55) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8314205 0.90 DRD2 (0.55) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8317632 0.89 S1PR5 (0.51) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8317646 0.89 S1PR5 (0.51) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8318715 0.88 RORC (0.51) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8318711 0.88 RORC (0.51) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8782084 0.87 MEN1 (0.54) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8782076 0.87 MEN1 (0.54) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8314188 0.87 MEN1 (0.54) S1PR1S1PR5ALDH1A1SIGMAR1DRD2
SCHEMBL8314184 0.87 MEN1 (0.54) S1PR1S1PR5ALDH1A1SIGMAR1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556119-B1 Pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR (FR) 1997-05-14 EP disclosed
US-5407946-A Pyrrolidine compounds which are useful as thromboxane AZ-inhibitors ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
US-5387591-A Possesses antithromboxane A2 properties; useful in treatment and prevention of thrombotic diseases ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0556119-A1 Novel pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR ET COMPAGNIE (FR) 1993-08-18 EP disclosed