SCHEMBL11125800

SCHEMBL11125800

CCOP(=S)(OCC)OC1=C(c2ccccc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ OPRM1 P35372 4/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL11128660 0.95 SMN1; SMN2 (0.34) SMN1; SMN2LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL11125155 0.87 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10KDM4E
SCHEMBL11127830 0.84 MEN1 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL11125803 0.84 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1HSD17B10KDM4E
SCHEMBL11126631 0.84 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL11124971 0.81 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4EMAPTPOLB
SCHEMBL11125168 0.81 SMN1; SMN2 (0.34) SMN1; SMN2LMNAALDH1A1HSD17B10KDM4E
SCHEMBL11125042 0.79 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL11127736 0.76 BRD4 (0.38) SMN1; SMN2LMNAALDH1A1CYP3A4TSHR
SCHEMBL11094467 0.76 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10KDM4E

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-4409153-A MITICIDES, OVICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1983-10-11 — — US disclosed
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