SCHEMBL8715312

SCHEMBL8715312

COc1ccccc1CC(C)(C[C@H](N)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
MC4R P32245 1/20 0.39
IDO1 P14902 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CSNK1D P48730 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL8720042 0.90 IDO1 (0.41) MEN1KMT2AIDO1TAAR1MAPT
SCHEMBL8719228 0.89 MAPT (0.44) MC4RCSNK1DMAPTGAANR3C1
SCHEMBL8713551 0.89 KIF11 (0.38) MEN1KMT2AIDO1TAAR1MAPT
SCHEMBL8717467 0.88 MEN1 (0.48) MEN1KMT2AIDO1TAAR1MAPT
SCHEMBL8713638 0.83 MEN1 (0.35) MEN1KMT2AKCNH2TAAR1MAPT
SCHEMBL8716358 0.82 GRIN2B (0.46) CACNA1GKCNH2MC4RCSNK1DNR3C1
SCHEMBL8714402 0.82 KCNH2 (0.38) MEN1KMT2AKCNH2IDO1TAAR1
SCHEMBL8716180 0.82 IDO1 (0.41) MEN1KMT2AIDO1TAAR1MAPT
SCHEMBL8720320 0.81 NR3C1 (0.41) MEN1KMT2AKCNH2IDO1TAAR1
SCHEMBL8717145 0.81 SMN1; SMN2 (0.40) MEN1KMT2AIDO1TAAR1GAA

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