SCHEMBL11407909

SCHEMBL11407909

C[C@@H](C/C=C/C(=O)CCCOc1ccccc1)CCCC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ PPARA Q07869 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL11395063 0.88 MAPT (0.39) HPGDPPARAMEN1KMT2AALDH1A1
SCHEMBL11402166 0.84 LMNA (0.44) HPGDALDH1A1TDP1SMN1; SMN2HDAC1
SCHEMBL11391703 0.82 GPR52 (0.51) MEN1KMT2AALDH1A1
SCHEMBL11394250 0.80 MAPT (0.39) ALDH1A1TDP1CNR2
SCHEMBL11402951 0.78 LMNA (0.43) MEN1KMT2AALDH1A1
SCHEMBL11392990 0.77 PPARA (0.40) HPGDPPARAMEN1KMT2AALDH1A1
SCHEMBL11395959 0.77 AKT1 (0.46) HPGDPPARAKMT2AALDH1A1TDP1
SCHEMBL11395451 0.77 FFAR1 (0.38) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL11388461 0.76 PPARG (0.43) PPARAMEN1KMT2AALDH1A1TDP1
SCHEMBL11398878 0.76 SLC6A2 (0.37) ALDH1A1TDP1TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US claimed
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US disclosed
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