SCHEMBL9506978

SCHEMBL9506978

CC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.50
▸ NR1H2 P55055 8/20 0.49
▸ MCL1 Q07820 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40

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
SCHEMBL9006094 0.91 STS (0.49) STSNR1H2MCL1MMP2MMP1
SCHEMBL9006196 0.84 STS (0.52) STSNR1H2MCL1TBXA2RHDAC8
SCHEMBL12267639 0.81 NR1H2 (0.50) NR1H2MCL1MMP2NR1H3
SCHEMBL13106876 0.81 NR1H2 (0.48) NR1H2MCL1MMP2MMP1MMP3
SCHEMBL9503295 0.81 NR1H2 (0.48) NR1H2MCL1MMP2MMP1MMP3
SCHEMBL9503339 0.80 MMP1 (0.55) STSNR1H2MMP2MMP1MMP3
SCHEMBL9506253 0.80 NR1H2 (0.50) NR1H2MCL1MMP2NR1H3
SCHEMBL9507059 0.80 NR1H2 (0.50) NR1H2MCL1MMP2NR1H3
SCHEMBL9505085 0.78 NR1H2 (0.50) STSNR1H2MMP2MMP1MMP3
SCHEMBL30638141 0.78 MMP2 (0.52) NR1H2MCL1MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 — — EP disclosed
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