SCHEMBL11094866

SCHEMBL11094866

CCOC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TSHR P16473 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FFAR3 O14843 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL11098816 0.76 ALDH1A1 (0.51) MAPTTSHRMAPK1HSD17B10MEN1
SCHEMBL10899959 0.73 KMT2A (0.41) SMN1; SMN2MAPTMAPK1MEN1KMT2A
SCHEMBL11099881 0.73 KMT2A (0.40) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL13673439 0.69 TSHR (0.40) SMN1; SMN2KDM4EMAPTTSHRMAPK1
SCHEMBL11092969 0.68 ALPL (0.39) MAPTMEN1KMT2ADPP4
SCHEMBL782498 0.67 HTT (0.38) SMN1; SMN2KDM4EMAPTTSHRMAPK1
SCHEMBL11098171 0.67 ALDH1A1 (0.41) SMN1; SMN2MAPTPOLBHSD17B10MEN1
SCHEMBL5712545 0.66 TSHR (0.43) SMN1; SMN2KDM4EMAPTTSHRNPC1
SCHEMBL28920232 0.66 PTGS2 (0.52) KDM4EMAPTMAPK1HSD17B10ALDH1A1
SCHEMBL11940720 0.65 PTGS2 (0.39) KDM4EMAPTMAPK1HSD17B10MEN1

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