SCHEMBL11088993

SCHEMBL11088993

Cc1ccccc1C1=C(OC(=S)Oc2ccccc2)CC(C)(C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ OPRM1 P35372 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 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
SCHEMBL11098815 0.89 TP53 (0.35) POLBL3MBTL1BRD4LMNAOPRM1
SCHEMBL11094467 0.79 ALDH1A1 (0.38) POLBLMNAOPRM1SMN1; SMN2ALDH1A1
SCHEMBL11127736 0.77 BRD4 (0.38) POLBL3MBTL1BRD4LMNAOPRM1
SCHEMBL10913278 0.77 LMNA (0.36) POLBL3MBTL1BRD4LMNAOPRM1
SCHEMBL10732412 0.76 MAPK1 (0.40) L3MBTL1LMNAOPRM1NPC1SMN1; SMN2
SCHEMBL11331757 0.75 LMNA (0.35) POLBL3MBTL1BRD4LMNAOPRM1
SCHEMBL11096198 0.74 BRD4 (0.49) L3MBTL1BRD4LMNAOPRM1SMN1; SMN2
SCHEMBL10729623 0.74 KMT2A (0.39) POLBLMNAOPRM1SMN1; SMN2ALDH1A1
SCHEMBL11125800 0.73 SMN1; SMN2 (0.37) POLBBRD4LMNAOPRM1SMN1; SMN2
SCHEMBL11095941 0.73 OPRM1 (0.39) BRD4LMNAOPRM1SMN1; SMN2ALDH1A1

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
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US claimed
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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