SCHEMBL9192033

SCHEMBL9192033

CCC(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD3 P35462 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
GSK3B P49841 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9177783 0.94 CHRM2 (0.56) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL24221611 0.86 LMNA (0.48) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9325685 0.85 PDPK1 (0.56) CHRM2ADRA2BDRD3LMNAALDH1A1
SCHEMBL9405584 0.85 PDPK1 (0.56) CHRM2ADRA2BDRD3LMNAALDH1A1
SCHEMBL4558930 0.85 SMN1; SMN2 (0.56) ADRA2BLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL27162124 0.84 HAO1 (0.45) LMNAALDH1A1HTTCES2CES1
SCHEMBL9717258 0.81 SMN1; SMN2 (0.51) LMNAALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL9190993 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ECES2
SCHEMBL9405579 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ECES2
SCHEMBL12955855 0.80 KDM4E (0.48) CHRM2ADRA2BDRD3SIGMAR1HRH3

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-0558157-B1 Naphthalene compounds MITSUBISHI GAS CHEMICAL CO (JP) 1995-11-29 EP disclosed
EP-0390322-B1 Naphthalene compounds MITSUBISHI GAS CHEMICAL CO (JP) 1994-04-27 EP disclosed
EP-0558157-A1 Naphthalene compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-01 EP disclosed
US-5151549-A NAPHTHALENE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-29 US disclosed
US-5146025-A NAPHTHALENE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-08 US disclosed
EP-0390322-A2 Naphthalene compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-10-03 EP disclosed