SCHEMBL11395063

SCHEMBL11395063

C[C@@H](C/C=C/C(=O)COc1ccccc1)CCCC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ PPARA Q07869 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALPL P05186 2/20 0.36
▸ ALPI P09923 2/20 0.36
▸ ALPG P10696 2/20 0.36
▸ KCNH3 Q9ULD8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL11407909 0.88 HPGD (0.46) PPARATDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11392990 0.88 PPARA (0.40) MAPTPPARATDP1ALDH1A1LMNA
SCHEMBL11400055 0.87 POLB (0.45) ALDH1A1
SCHEMBL11391897 0.84 KMT2A (0.41) MAPTPPARATDP1RAB9ASMN1; SMN2
SCHEMBL11394250 0.81 MAPT (0.39) MAPTTDP1ALDH1A1LMNACYP3A4
SCHEMBL11395959 0.81 AKT1 (0.46) MAPTPPARATDP1ALDH1A1LMNA
SCHEMBL11391703 0.80 GPR52 (0.51) MAPTALDH1A1LMNACYP3A4KCNH3
SCHEMBL11395451 0.79 FFAR1 (0.38) MAPTTDP1ALDH1A1LMNACYP3A4
SCHEMBL11402166 0.79 LMNA (0.44) TDP1ALDH1A1LMNACYP3A4NPC1
SCHEMBL11402951 0.77 LMNA (0.43) ALDH1A1LMNAKCNH3HTTMEN1

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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