SCHEMBL6060415

SCHEMBL6060415

CC(=O)OC1CCCC1(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR2 P41597 1/20 0.33
CYP3A4 P08684 1/20 0.32
OPRM1 P35372 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4814920 0.88 HTR2C (0.42) HTR2CCYP2C19SMN1; SMN2CYP3A4OPRM1
SCHEMBL6060122 0.85 ALDH1A1 (0.34) LMNACYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL4809674 0.84 OPRM1 (0.44) HTR2CLMNAMEN1KMT2AOPRM1
SCHEMBL6060778 0.82 PTGS1 (0.37) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4808679 0.80 HTR2C (0.36) HTR2CMEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL4813860 0.78 MEN1 (0.42) HTR2CMEN1KMT2A
SCHEMBL4813929 0.76 SLC22A1 (0.50) SMN1; SMN2OPRM1
SCHEMBL4815711 0.75 TDP1 (0.44) HTR2CL3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL4813911 0.75 HTR2C (0.46) HTR2CMEN1KMT2ASCN1ASCN2A
SCHEMBL4815215 0.72 SLC22A1 (0.43) HTR2CLMNAMEN1KMT2ASMN1; SMN2

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
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO disclosed