SCHEMBL9853516

SCHEMBL9853516

COC(=O)c1cccc(Oc2ccc(SC)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX3 P56373 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 2/20 0.44
RECQL P46063 1/20 0.44
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9868747 0.86 KDM4E (0.46) MAPTTSHRP2RX3GRM5OPRM1
SCHEMBL7608437 0.84 MAPT (0.67) MAPTP2RX3L3MBTL1GAACYP1A2
SCHEMBL17456362 0.83 MAPT (0.59) MAPTP2RX3L3MBTL1GAACYP1A2
SCHEMBL22453223 0.82 MAPT (0.57) MAPTLMNATSHRNPSR1P2RX3
SCHEMBL27111298 0.78 MAPT (0.54) MAPTP2RX3L3MBTL1GAACYP1A2
SCHEMBL7612234 0.78 MAPT (0.56) MAPTLMNAP2RX3L3MBTL1GAA
SCHEMBL8780569 0.77 MAPT (0.70) MAPTL3MBTL1GAACYP1A2RECQL
SCHEMBL7613351 0.76 MAPT (0.61) MAPTP2RX3L3MBTL1GAACYP1A2
SCHEMBL875715 0.75 MAPT (0.55) MAPTTSHRL3MBTL1GAACYP1A2
SCHEMBL31264286 0.75 MAPT (0.55) MAPTTSHRL3MBTL1GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991015476-A1 SUBSTITUTED CYCLOHEXANEDIONES AND THEIR HERBICIDAL USES DOWELANCO (US) 1991-10-17 WO disclosed
EP-0450712-A2 Substituted cyclohexanediones and their herbicidal uses DOWELANCO (US) 1991-10-09 EP disclosed
US-5013352-A Grassy weeds in presence of crops DOWELANCO (US) 1991-05-07 US disclosed