SCHEMBL10353154

SCHEMBL10353154

COC(=O)C1CCC2CC(OC)CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
EPHX2 P34913 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10612580 0.95 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21451205 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8052086 0.88 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8051611 0.88 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL593637 0.88 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16449090 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16258314 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13374170 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12722030 0.83 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10358341 0.83 ACE (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393086-A1 PROCESSES FOR PREPARING 3,4-DIHYDRO 2-NAPHTHANOIC ACID AND 2-NAPHTHANOIC ACID AND ESTERS THEREOF EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-10-24 EP disclosed
EP-0380585-A1 PROCESS FOR PREPARING 2-NAPHTHANOIC ACIDS AND ESTERS THEREOF EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-08-08 EP disclosed
WO-1989003377-A1 PROCESS FOR PREPARING 2-NAPHTHANOIC ACIDS AND ESTERS THEREOF EASTMAN KODAK COMPANY (US) 1989-04-20 WO disclosed
WO-1989002427-A1 PROCESSES FOR PREPARING 3,4-DIHYDRO 2-NAPHTHANOIC ACID AND 2-NAPHTHANOIC ACID AND ESTERS THEREOF EASTMAN KODAK COMPANY (US) 1989-03-23 WO disclosed
US-4783548-A Processes for preparing 3,4-dihydro 2-naphthanoic acid and 2-naphthanoic acid and esters thereof EASTMAN KODAK COMPANY (US) 1988-11-08 US disclosed
US-4761497-A Process for preparing 2-naphthanoic acids and esters thereof EASTMAN KODAK COMPANY (US) 1988-08-02 US disclosed