SCHEMBL11092040

SCHEMBL11092040

CCCCCCCCOC(=S)OC1=C(c2ccc(C)cc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ ELANE P08246 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
SCHEMBL10733838 0.82 KMT2A (0.38) MEN1KMT2AALDH1A1MAPK1RAB9A
SCHEMBL11096939 0.81 BRD4 (0.31) RAB9AKDM4EBRD4OPRM1ELANE
SCHEMBL11096758 0.79 KDM4E (0.34) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL11093637 0.77 BRD4 (0.38) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL10913686 0.74 FAAH (0.34) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL11097162 0.73 BRD4 (0.40) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL11091882 0.72 BRD4 (0.36) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL10911791 0.72 L3MBTL1 (0.33) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL11094187 0.72 MAPK1 (0.35) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL11094931 0.71 OPRM1 (0.39) MEN1KMT2AALDH1A1RAB9AL3MBTL1

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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