SCHEMBL11095928

SCHEMBL11095928

COC1=C(c2ccc(C)cc2C)C(=O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ ALKBH3 Q96Q83 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ ALPL P05186 1/20 0.33

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
SCHEMBL11097162 0.77 BRD4 (0.40) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL11092748 0.75 GAA (0.35) ALDH1A1KDM4ELMNAHPGDMAOB
SCHEMBL430714 0.69 KDM4E (0.33) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL31483729 0.68 GAA (0.41) ALDH1A1KDM4ELMNAHPGDMAOB
SCHEMBL16398712 0.67 S100A4 (0.34) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL1027718 0.66 MAOA (0.61) ALDH1A1MAOBMAOAMEN1KMT2A
SCHEMBL11095394 0.66 RAB9A (0.38) ALDH1A1KDM4EHPGDMAOBMAPT
SCHEMBL11094931 0.66 OPRM1 (0.39) ALDH1A1KDM4ELMNAMAOBMAPT
SCHEMBL11093637 0.65 BRD4 (0.38) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL1275310 0.65 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHPGDMAPT

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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