SCHEMBL7729987

SCHEMBL7729987

CC[C@H]1CC[C@H](C2CCC(CCc3ccc(C(F)(F)Oc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
TEAD1 P28347 2/20 0.36
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A5 Q9Y345 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
SCHEMBL7729996 1.00 MAOB (0.43) MAOBTEAD1PPARAPPARDTAAR1
SCHEMBL7729991 1.00 MAOB (0.43) MAOBTEAD1PPARAPPARDTAAR1
SCHEMBL7730582 0.96 MAOB (0.45) MAOBPPARAPPARDTAAR1MEN1
SCHEMBL7730576 0.96 MAOB (0.45) MAOBPPARAPPARDTAAR1MEN1
SCHEMBL7731811 0.93 MAOB (0.43) MAOBTEAD1PPARAPPARDTAAR1
SCHEMBL7735163 0.93 TSHR (0.39) MAOB
SCHEMBL7735168 0.93 TSHR (0.39) MAOB
SCHEMBL7731803 0.93 MAOB (0.43) MAOBTEAD1PPARAPPARDTAAR1
SCHEMBL7735160 0.93 TSHR (0.39) MAOB
SCHEMBL7731820 0.93 MAOB (0.43) MAOBTEAD1PPARAPPARDTAAR1

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed