SCHEMBL9507014

SCHEMBL9507014

CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]1C=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ SFRP1 Q8N474 5/20 0.43
▸ WNT3 P56703 2/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42

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
SCHEMBL10701160 1.00 NR1H2 (0.46) NR1H2NR1H3SFRP1WNT3MCL1
SCHEMBL9503238 1.00 NR1H2 (0.46) NR1H2NR1H3SFRP1WNT3MCL1
SCHEMBL9504084 0.90 NR1H2 (0.46) NR1H2MCL1
SCHEMBL9006196 0.89 STS (0.52) NR1H2MCL1
SCHEMBL9506352 0.89 STS (0.53) NR1H2TGFBR1
SCHEMBL9506263 0.88 NR1H2 (0.48) NR1H2NR1H3SFRP1WNT3TGFBR1
SCHEMBL9506275 0.85 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL9024402 0.85 TBXA2R (0.48) —
SCHEMBL9006144 0.85 TBXA2R (0.48) —
SCHEMBL12267639 0.84 NR1H2 (0.50) NR1H2NR1H3SFRP1WNT3MCL1

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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