SCHEMBL31256610

SCHEMBL31256610

Cc1ccc(S(=O)(=S)c2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PYGL P06737 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ CCKBR P32239 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ F10 P00742 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
SCHEMBL31595672 0.80 L3MBTL1 (0.46) HSD17B10NPC1RAB9AALDH1A1PYGL
SCHEMBL30567233 0.80 L3MBTL1 (0.46) HSD17B10NPC1RAB9AALDH1A1PYGL
SCHEMBL25386644 0.80 L3MBTL1 (0.46) HSD17B10NPC1RAB9AALDH1A1PYGL
SCHEMBL25386639 0.80 L3MBTL1 (0.46) HSD17B10NPC1RAB9AALDH1A1PYGL
SCHEMBL26264484 0.74 PPARG (0.45) HSD17B10RAB9APYGLPPARGCCKBR
SCHEMBL26264485 0.74 PPARG (0.45) HSD17B10RAB9APYGLPPARGCCKBR
SCHEMBL9828789 0.72 FOLH1 (0.55) ALDH1A1PYGLPPARG
SCHEMBL9828783 0.72 FOLH1 (0.55) ALDH1A1PYGLPPARG
SCHEMBL25386999 0.71 MTNR1B (0.52) RAB9AALDH1A1PYGLLMNA
SCHEMBL25387001 0.71 MTNR1B (0.52) RAB9AALDH1A1PYGLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013247-A PCNA inhibitor and use thereof 希望之城 2024-11-22 — — CN disclosed
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