SCHEMBL6060766

SCHEMBL6060766

O=C(O)C1(Cc2ccccc2)CCCC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD11B1 P28845 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 6/20 0.37
USP2 O75604 1/20 0.37
EPHX2 P34913 1/20 0.37
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 1/20 0.36
HTT P42858 1/20 0.36
AKR1C1 Q04828 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1042314 0.84 NAPRT (0.44) HSD11B1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4808147 0.84 ADAM17 (0.47) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4807305 0.82 KDM4E (0.51) ALDH1A1KDM4ELMNASMN1; SMN2OPRM1
SCHEMBL4580682 0.77 LTB4R (0.36) HPGDHSD11B1EPHX1ALDH1A1LMNA
SCHEMBL7447229 0.75 KDM4E (0.40) HPGDEPHX1ALDH1A1EPHX2KDM4E
SCHEMBL18494342 0.73 MAPT (0.41) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL1841591 0.73 LMNA (0.46) HPGDMAOAMAOBHSD11B1ALDH1A1
SCHEMBL9314420 0.73 HSD11B1 (0.41) HPGDMAOAMAOBHSD11B1
SCHEMBL3781275 0.72 CYP17A1 (0.49) LMNA
SCHEMBL1043392 0.72 HSD11B1 (0.43) HPGDHSD11B1ALDH1A1KDM4ESMN1; 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