SCHEMBL28629604

SCHEMBL28629604

COCCOC(CO)c1cc(F)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CTSA P10619 5/20 0.33
MMEL1 Q495T6 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL18820640 1.00 USP2 (0.40) USP2SMN1; SMN2ADRA2AADRA1APPARG
SCHEMBL19361582 0.92 USP2 (0.39) USP2SMN1; SMN2ADRA2AADRA1APPARG
SCHEMBL19361585 0.90 CYP1A2 (0.34) USP2SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18821185 0.90 KCNH2 (0.38) USP2SMN1; SMN2ADRA2AADRA1APPARG
SCHEMBL18907014 0.87 USP2 (0.41) USP2SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL18821415 0.85 FAAH (0.36) SMN1; SMN2PPARGCYP1A2CYP2C19ALDH1A1
SCHEMBL18821010 0.85 FAAH (0.36) SMN1; SMN2PPARGCYP1A2CYP2C19ALDH1A1
SCHEMBL19361586 0.85 KDM4E (0.38) ADRA2AADRA1APPARGPPARDPPARA
SCHEMBL18907896 0.85 MMEL1 (0.34) USP2SMN1; SMN2ADRA2AADRA1APPARG
SCHEMBL18909761 0.84 USP2 (0.39) USP2SMN1; SMN2KDM4EHTR2AHTR2C

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
CN-108349995-B Pyrazole ACC inhibitors and uses thereof 吉利德阿波罗公司 2021-08-03 CN disclosed