SCHEMBL11096938

SCHEMBL11096938

Cc1ccc(C2=C(OC(=S)OC(C)C)CC3(CCCC3)CC2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL11096758 0.86 KDM4E (0.34) KDM4EALDH1A1MAPTPKMHTT
SCHEMBL11094187 0.74 MAPK1 (0.35) KDM4EALDH1A1MAPTPKMHTT
SCHEMBL11098815 0.70 TP53 (0.35) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL11092965 0.69 SMN1; SMN2 (0.44) HTR1AADRA1BSMN1; SMN2
SCHEMBL11093637 0.68 BRD4 (0.38) KDM4EALDH1A1MAPTHTTATM
SCHEMBL10900885 0.67 KDM4E (0.36) HTR1AKDM4EMAPTHTTATM
SCHEMBL11098282 0.66 BRD4 (0.37) KDM4EALDH1A1MAPTHTTATM
SCHEMBL10913686 0.66 FAAH (0.34) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL10735397 0.64 KDM4E (0.37) KDM4EALDH1A1MAPTHTTATM
SCHEMBL11097162 0.63 BRD4 (0.40) KDM4EALDH1A1MAPTHTTSMN1; SMN2

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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