SCHEMBL8548711

SCHEMBL8548711

CCSc1ccc(C(O)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.46
CES1 P23141 5/20 0.46
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HTR7 P34969 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL7087822 0.83 CES2 (0.50) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL8148223 0.83 CES2 (0.50) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL15680018 0.82 CES2 (0.63) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL5444935 0.82 CES2 (0.63) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL642607 0.75 SLC6A4 (0.47) LMNAALDH1A1TSHR
SCHEMBL10392118 0.74 CES2 (0.54) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL6203952 0.74 CES2 (0.54) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL6836825 0.74 CES2 (0.74) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11186384 0.74 CES2 (0.53) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL4020285 0.74 CES2 (0.74) CES2CES1LMNAALDH1A1KDM4E

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed