SCHEMBL11092386

SCHEMBL11092386

COC(=O)CCCCC(=O)OC1=C(c2ccc(C)cc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ PTPRC P08575 3/20 0.36
▸ PTPN13 Q12923 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL11098604 0.96 BRD4 (0.35) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL11093637 0.83 BRD4 (0.38) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL10909040 0.83 BRD4 (0.34) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL10911409 0.82 BRD4 (0.35) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL11098282 0.81 BRD4 (0.37) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL11097162 0.79 BRD4 (0.40) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL10735397 0.78 KDM4E (0.37) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL11094467 0.77 ALDH1A1 (0.38) MAPTHSD17B10CYP1A2CYP2C19KMT2A
SCHEMBL11094931 0.76 OPRM1 (0.39) MAPTCYP2C19KMT2AALDH1A1LMNA
SCHEMBL11094830 0.76 KDM4E (0.38) MAPTHSD17B10KMT2AALDH1A1LMNA

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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