SCHEMBL11869257

SCHEMBL11869257

CC(CCCl)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)CCCl)ccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.31
▸ DBH P09172 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL11858243 0.82 LMNA (0.36) PTGS2OPRK1PDE4DMAPTRAB9A
SCHEMBL11800787 0.81 ABCC4 (0.35) MAPTRAB9ANPC1KDM4EDBH
SCHEMBL3008104 0.81 GAA (0.49) PTGS2OPRK1PDE4DMAPTRAB9A
SCHEMBL11730430 0.76 CTNNB1 (0.36) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11863346 0.76 OPRK1 (0.36) PTGS2OPRK1PDE4DMAPTRAB9A
SCHEMBL11677033 0.76 MAPT (0.42) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11813095 0.74 GSK3B (0.44) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11819107 0.74 L3MBTL1 (0.38) PDE4DMAPTRAB9ANPC1KDM4E
SCHEMBL11750568 0.72 L3MBTL1 (0.40) MAPTRAB9ANPC1KDM4ELMNA
SCHEMBL11553445 0.70 TTR (0.39) RAB9ANPC1KDM4EDBHGAA

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
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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