SCHEMBL9024412

SCHEMBL9024412

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 3/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ TBXA2R P21731 4/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ MMP9 P14780 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9006242 1.00 PTGDR (0.43) PTGDREGFRERBB2MMP2MMP1
SCHEMBL9006199 0.96 TBXA2R (0.43) PTGDRTBXA2RTBXAS1ALDH1A1LMNA
SCHEMBL9006193 0.96 TBXA2R (0.43) PTGDRTBXA2RTBXAS1ALDH1A1LMNA
SCHEMBL9646098 0.96 TBXA2R (0.43) PTGDRTBXA2RTBXAS1ALDH1A1LMNA
SCHEMBL9006148 0.93 PTGDR (0.51) PTGDREGFRERBB2MMP2MMP1
SCHEMBL9024212 0.93 PTGDR (0.51) PTGDREGFRERBB2MMP2MMP1
SCHEMBL9006145 0.93 TBXA2R (0.41) PTGDRTBXA2RTBXAS1ALDH1A1LMNA
SCHEMBL9006118 0.93 TBXA2R (0.41) PTGDREGFRERBB2TBXA2RTBXAS1
SCHEMBL9024778 0.93 TBXA2R (0.41) PTGDREGFRERBB2TBXA2RTBXAS1
SCHEMBL9006151 0.93 TBXA2R (0.41) PTGDRTBXA2RTBXAS1ALDH1A1LMNA

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
Send feedback