SCHEMBL8088577

SCHEMBL8088577

COC(=O)Cc1ccccc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CACNA1G O43497 8/20 0.44
CACNA1H O95180 8/20 0.44
CACNA1I Q9P0X4 6/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL7333637 0.83 CXCL8 (0.55) L3MBTL1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL8333881 0.81 L3MBTL1 (0.43) L3MBTL1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL10030744 0.81 AR (0.51) L3MBTL1CYP1A2CYP2C9MEN1S1PR2
SCHEMBL8042960 0.81 VNN1 (0.50) L3MBTL1CYP2C9MAPTALDH1A1
SCHEMBL7040523 0.81 ALDH1A1 (0.44) CYP1A2CYP2C9GAAALDH1A1SLC2A1
SCHEMBL7337482 0.81 PPARG (0.52) CYP1A2CYP2C9MEN1LMNAMAPT
SCHEMBL30104114 0.81 TSHR (0.58) L3MBTL1MEN1LMNAGAAMAPT
SCHEMBL7847681 0.81 TSHR (0.58) L3MBTL1MEN1LMNAGAAMAPT
SCHEMBL18066342 0.80 L3MBTL1 (0.47) L3MBTL1MEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7334841 0.79 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2C9MEN1GAA

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
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed