SCHEMBL11391703

SCHEMBL11391703

C[C@@H](C/C=C/C(=O)CCc1ccccc1)CCCC(C)(C)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.45
▸ ALOX5 P09917 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL11402166 0.94 LMNA (0.44) GPR52TRPV1ALOX5ALDH1A1CYP1A2
SCHEMBL11393634 0.88 GPR52 (0.37) GPR52TRPV1ALOX5ALDH1A1CYP1A2
SCHEMBL11394250 0.88 MAPT (0.39) GPR52ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11396435 0.87 GPR52 (0.37) GPR52ALDH1A1KMT2A
SCHEMBL11395874 0.85 EPHX1 (0.39) ALOX5RAB9ALMNA
SCHEMBL11398878 0.84 SLC6A2 (0.37) GPR52ALDH1A1CYP3A4LMNAKCNH3
SCHEMBL11407909 0.82 HPGD (0.46) ALDH1A1MEN1KMT2A
SCHEMBL11402070 0.80 HTT (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11395959 0.80 AKT1 (0.46) GPR52ALDH1A1CYP3A4MAPTRAB9A
SCHEMBL11395451 0.80 FFAR1 (0.38) ALDH1A1CYP3A4MAPTLMNAKCNH3

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
Send feedback