SCHEMBL11396435

SCHEMBL11396435

C[C@@H](C/C=C/C(=O)CCc1cccc(Cl)c1)CCCC(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PLAAT3 P53816 2/20 0.36
▸ PLAAT5 Q96KN8 2/20 0.36
▸ PLAAT2 Q9NWW9 2/20 0.36
▸ PLAAT4 Q9UL19 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 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
SCHEMBL11393634 0.87 GPR52 (0.37) GPR52ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL11391703 0.87 GPR52 (0.51) GPR52ALDH1A1KMT2A
SCHEMBL11395874 0.85 EPHX1 (0.39) TAAR1FFAR1FFAR4
SCHEMBL11402166 0.81 LMNA (0.44) GPR52ALDH1A1SMN1; SMN2
SCHEMBL11398878 0.81 SLC6A2 (0.37) GPR52HSP90AA1HSP90AB1ALDH1A1TAAR1
SCHEMBL11400055 0.80 POLB (0.45) ALDH1A1FFAR1
SCHEMBL11394250 0.77 MAPT (0.39) GPR52CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL11407909 0.73 HPGD (0.46) ALDH1A1TAAR1SMN1; SMN2KMT2A
SCHEMBL11392990 0.73 PPARA (0.40) ALDH1A1KMT2A
SCHEMBL11388461 0.71 PPARG (0.43) ALDH1A1KMT2A

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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