SCHEMBL11393634

SCHEMBL11393634

C[C@@H](C/C=C/C(=O)CCc1ccc(Cl)cc1)CCCC(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 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
SCHEMBL11391703 0.88 GPR52 (0.51) GPR52TRPV1LMNAHTTCYP3A4
SCHEMBL11396435 0.87 GPR52 (0.37) GPR52PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11402166 0.82 LMNA (0.44) GPR52TRPV1LMNACYP3A4ALDH1A1
SCHEMBL11398878 0.82 SLC6A2 (0.37) GPR52LMNAHTTPLAAT3PLAAT5
SCHEMBL11392990 0.81 PPARA (0.40) LMNACYP3A4ALDH1A1TDP1CYP1A2
SCHEMBL11395874 0.78 EPHX1 (0.39) LMNAGAAHDAC1HDAC8ALOX5
SCHEMBL11394250 0.76 MAPT (0.39) GPR52LMNACYP3A4ALDH1A1TDP1
SCHEMBL11388461 0.75 PPARG (0.43) LMNACYP3A4ALDH1A1TDP1PPARG
SCHEMBL11407909 0.74 HPGD (0.46) GAAALDH1A1HDAC1HDAC2TDP1
SCHEMBL11400055 0.73 POLB (0.45) GAAALDH1A1PPARG

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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