SCHEMBL9024778

SCHEMBL9024778

COC(=O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 6/20 0.41
▸ PTGDR Q13258 2/20 0.41
▸ TBXAS1 P24557 3/20 0.40
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL9006118 1.00 TBXA2R (0.41) TBXA2RPTGDRTBXAS1EGFRERBB2
SCHEMBL9006199 0.97 TBXA2R (0.43) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9646098 0.97 TBXA2R (0.43) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9006193 0.97 TBXA2R (0.43) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9006145 0.93 TBXA2R (0.41) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9006151 0.93 TBXA2R (0.41) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9006242 0.93 PTGDR (0.43) TBXA2RPTGDRTBXAS1EGFRERBB2
SCHEMBL9024412 0.93 PTGDR (0.43) TBXA2RPTGDRTBXAS1EGFRERBB2
SCHEMBL9006089 0.92 PTGDR (0.47) TBXA2RPTGDRTBXAS1ALDH1A1MEN1
SCHEMBL9006133 0.92 TBXA2R (0.47) TBXA2RPTGDRTBXAS1ALDH1A1CYP3A4

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-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — EP disclosed
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