SCHEMBL8719319

SCHEMBL8719319

CC(Cc1ccccc1)N(CCO)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
ATM Q13315 1/20 0.37
ACE P12821 1/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
SCN1A P35498 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
CYP1A2 P05177 1/20 0.36
CTSS P25774 2/20 0.35
CTSL P07711 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
SCHEMBL8430263 0.76 SIGMAR1 (0.50) CYP2D6TSHRSIGMAR1CYP1A2L3MBTL1
SCHEMBL8713645 0.75 SIGMAR1 (0.44) CYP2D6TSHRSIGMAR1CYP1A2MAOB
SCHEMBL8714026 0.73 MAOB (0.49) MEN1KMT2ASIGMAR1MAOB
SCHEMBL8713719 0.72 MAPT (0.42) CYP2C19CYP3A4TSHRMEN1LMNA
SCHEMBL8714022 0.71 SIGMAR1 (0.43) USP2CYP2D6CYP2C19CYP3A4TSHR
SCHEMBL8718156 0.70 SIGMAR1 (0.42) KMT2ASIGMAR1L3MBTL1
SCHEMBL8716243 0.70 ACHE (0.46) CYP2D6CYP3A4TSHRALOX15KMT2A
SCHEMBL8713177 0.70 SIGMAR1 (0.40) CYP2D6TSHRSIGMAR1CYP1A2MAOB
SCHEMBL8714206 0.70 SIGMAR1 (0.44) CYP2D6TSHRSIGMAR1CYP1A2NPY5R
SCHEMBL8718245 0.69 PNMT (0.42) TSHRSIGMAR1MAOB

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