SCHEMBL9505085

SCHEMBL9505085

COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.50
▸ HSD11B1 P28845 1/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ MMP2 P08253 4/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ SFRP1 Q8N474 4/20 0.41
▸ WNT3 P56703 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ STS P08842 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39

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
SCHEMBL9503295 0.89 NR1H2 (0.48) NR1H2NR1H3MMP2MMP1MMP3
SCHEMBL13106876 0.89 NR1H2 (0.48) NR1H2NR1H3MMP2MMP1MMP3
SCHEMBL9006094 0.88 STS (0.49) NR1H2HSD11B1NR1H3MMP2MMP1
SCHEMBL9503339 0.88 MMP1 (0.55) NR1H2NR1H3MMP2MMP1MMP3
SCHEMBL9506253 0.88 NR1H2 (0.50) NR1H2NR1H3MMP2SFRP1WNT3
SCHEMBL9507059 0.88 NR1H2 (0.50) NR1H2NR1H3MMP2SFRP1WNT3
SCHEMBL30638141 0.85 MMP2 (0.52) NR1H2HSD11B1NR1H3MMP2MMP1
SCHEMBL9506263 0.84 NR1H2 (0.48) NR1H2HSD11B1NR1H3SFRP1WNT3
SCHEMBL30476432 0.82 NR1H2 (0.47) NR1H2HSD11B1NR1H3MMP2SFRP1
SCHEMBL29523570 0.82 HSD11B1 (0.43) NR1H2HSD11B1NR1H3MMP2PTPN1

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 2 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
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