SCHEMBL8730751

SCHEMBL8730751

Cc1ccc(C)c(C(C)(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NOTUM Q6P988 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXRB P28702 1/20 0.36
SRD5A2 P31213 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
GRIN2C Q14957 1/20 0.34
CA12 O43570 2/20 0.33

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
SCHEMBL3392120 0.78 TDP1 (0.48) L3MBTL1TDP1NOTUMMEN1KMT2A
SCHEMBL4627938 0.76 TSHR (0.46) L3MBTL1MEN1KMT2AKDM4ELMNA
SCHEMBL28630164 0.75 GLRA3 (0.47) GLRA3GLRBL3MBTL1TDP1NOTUM
SCHEMBL8936223 0.75 GABRA1 (0.35) GLRA3GLRBTDP1LMNAALDH1A1
Salycilic Acid SCHEMBL1457176 0.74 GLRA3 (0.60) GLRA3GLRBL3MBTL1TDP1KMT2A
SCHEMBL4734822 0.74 KDM4E (0.50) GLRA3GLRBTDP1NR1H4KMT2A
Salycilic Acid SCHEMBL29623842 0.74 GLRA3 (0.60) GLRA3GLRBL3MBTL1TDP1KMT2A
SCHEMBL7065132 0.73 GLRA3 (0.46) GLRA3GLRBL3MBTL1NOTUMMEN1
SCHEMBL14989129 0.73 GLRA3 (0.46) GLRA3GLRBL3MBTL1NOTUMMEN1
SCHEMBL5483192 0.72 RXRB (0.39) GLRA3GLRBL3MBTL1TDP1NOTUM

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
EP-0706987-B1 Process for preparing alkylated aromatic carboxylic acids and carboxylic acid halogenides CIBA GEIGY AG (CH) 1998-06-03 EP disclosed