SCHEMBL8713638

SCHEMBL8713638

Cc1ccccc1CC(C)(C[C@H](N)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
NR3C2 P08235 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR3C1 P04150 1/20 0.33
PNMT P11086 1/20 0.33
ACP3 P15309 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8718439 0.89 CYP2C19 (0.38) KIF11ADRB2ADRB1NR3C2TAAR1
SCHEMBL8718508 0.88 PNMT (0.42) GRIN2BPNMTSLC6A2SLC6A4GAA
SCHEMBL8716595 0.86 PPARG (0.38) MEN1RAB9AKMT2AKIF11ADRB2
SCHEMBL8716358 0.85 GRIN2B (0.46) KIF11NR3C2GRIN2BNR3C1PNMT
SCHEMBL8715312 0.83 MEN1 (0.41) MEN1MAPTHTTKMT2ANR3C2
SCHEMBL8717503 0.81 CBX7 (0.37) KIF11ADRB2ADRB1NR3C2CYP3A4
SCHEMBL8714096 0.80 ADRB2 (0.38) ADRB2ADRB1NR3C2NR3C1TAAR1
SCHEMBL8715451 0.80 TAAR1 (0.37) KIF11ADRB2ADRB1NR3C2NR3C1
SCHEMBL8716625 0.78 KIF11 (0.38) KIF11ADRB2ADRB1NR3C2PNMT
SCHEMBL8716822 0.77 ADRB2 (0.39) MEN1MAPTHTTKMT2AKIF11

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed