SCHEMBL21949120

SCHEMBL21949120

Cc1cc(/C=C(\C=O)OS(=O)(=O)C(F)(F)F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ ALOX5 P09917 2/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21949126 0.74 GABRA1 (0.48) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL17355686 0.70 HTR1D (0.43) PTGS2PTGS1
SCHEMBL21949129 0.70 MEN1 (0.31) —
SCHEMBL564461 0.66 GABRA1 (0.57) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL4197382 0.66 CYP2C9 (0.46) PTGS2ALDH1A1
SCHEMBL29642252 0.66 ALDH1A1 (0.47) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL336067 0.66 ALDH1A1 (0.47) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL26539900 0.64 GABRA1 (0.51) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL28524299 0.64 PTGS2 (0.42) GABRA1SIGMAR1TUBB1PTGS2ALOX5
SCHEMBL27018581 0.63 AKR1C3 (0.43) PTGS2ALDH1A1

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-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 — — EP disclosed
EP-3640247-A1 SYK INHIBITOR AND USE METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-04-22 — — EP disclosed
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