SCHEMBL29966313

SCHEMBL29966313

COC(=O)/C=C/CCCc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.48
ALOX5 P09917 1/20 0.46
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL23533372 1.00 GPR52 (0.48) GPR52ALOX5HDAC3HDAC1HDAC2
SCHEMBL28827342 0.84 GPR52 (0.55) GPR52HDAC3HDAC1HDAC2HDAC10
SCHEMBL10037558 0.84 GPR52 (0.50) GPR52HDAC3HDAC1HDAC2HDAC10
SCHEMBL23533452 0.76 TAAR1 (0.49) GPR52HDAC3HDAC1HDAC2HDAC10
SCHEMBL30242341 0.76 TAAR1 (0.52) GPR52HDAC3HDAC1HDAC2HDAC10
SCHEMBL16831099 0.75 GPR52 (0.65) GPR52TAAR1GPR84
SCHEMBL16831098 0.75 GPR52 (0.65) GPR52TAAR1GPR84
SCHEMBL13948868 0.75 NPC1 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7374431 0.74 GPR52 (0.60) GPR52
SCHEMBL5972763 0.74 GPR52 (0.60) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114828958-A Cycloalkyl-containing carboxylic acids and use thereof 里米诺生物科学有限公司 2022-07-29 CN disclosed