SCHEMBL30745008

SCHEMBL30745008

COC(=O)c1cc(C(F)(F)F)cc(CBr)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
MAPT P10636 1/20 0.43
CFTR P13569 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RBP4 P02753 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20943981 1.00 NOTUM (0.47) NOTUMMAPTCFTRMRGPRX4KDM4E
SCHEMBL21044587 0.84 NOTUM (0.53) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL21201020 0.82 MRGPRX4 (0.38) NOTUMMAPTCFTRMRGPRX4KDM4E
SCHEMBL16303300 0.78 NOTUM (0.47) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL19787929 0.78 MAPT (0.43) NOTUMMAPTMRGPRX4KDM4EALDH1A1
SCHEMBL16505957 0.77 NOTUM (0.46) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL12455673 0.77 BACE1 (0.41) MAPTMRGPRX4KDM4EALDH1A1KMT2A
SCHEMBL29910288 0.77 CFTR (0.53) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL2088462 0.77 CFTR (0.53) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL30261881 0.77 NOTUM (0.46) NOTUMMAPTCFTRKDM4EALDH1A1

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed