SCHEMBL5487172

SCHEMBL5487172

CC(=CCc1cccc(C)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.50
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAOB P27338 2/20 0.43
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12003262 0.84 GPR52 (0.49) CTBP2KDM4EALDH1A1MAOBPOLB
SCHEMBL679743 0.84 GPR52 (0.49) CTBP2KDM4EALDH1A1MAOBPOLB
SCHEMBL7044262 0.83 CTBP2 (0.47) CTBP2TAAR1CYP2C9CYP3A4
SCHEMBL30528 0.82 CYP2C9 (0.51) ALDH1A1MAOBCYP2C9CYP3A4NPC1
SCHEMBL30530 0.82 CYP2C9 (0.51) ALDH1A1MAOBCYP2C9CYP3A4NPC1
SCHEMBL15733040 0.82 PTGS2 (0.48) GPR52CYP2C9
Iodide SCHEMBL3761279 0.80 CYP2C9 (0.50) ALDH1A1MAOBCYP2C9CYP3A4NPC1
SCHEMBL8848832 0.80 TAAR1 (0.47) CTBP2ALDH1A1MAOBPOLBTAAR1
SCHEMBL11287915 0.80 KMT2A (0.47) ALDH1A1CYP2C9
SCHEMBL11287912 0.80 KMT2A (0.47) ALDH1A1CYP2C9

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
US-20070172772-A1 Microlens OMRON CORPORATION (JP) 2007-07-26 US disclosed