SCHEMBL8718550

SCHEMBL8718550

CC(=O)Nc1cc(N(CCO)C(C)Cc2ccccc2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
KDM4E B2RXH2 1/20 0.45
APOBEC3A P31941 1/20 0.45
GFER P55789 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
PHPT1 Q9NRX4 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PDK1 Q15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NPY5R Q15761 2/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL8717324 0.86 ALDH1A1 (0.44) HDAC1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL8714022 0.83 SIGMAR1 (0.43) KDM4ELMNAPOLBKMT2AMEN1
SCHEMBL8713719 0.80 MAPT (0.42) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL8714181 0.79 SIGMAR1 (0.40) POLBMAPK1SIGMAR1
SCHEMBL8714374 0.77 SIGMAR1 (0.38) KDM4ECYP3A4TSHRMAPK1SIGMAR1
SCHEMBL8430263 0.75 SIGMAR1 (0.50) KDM4ETSHRADORA2AADORA1MAPK1
SCHEMBL8713645 0.74 SIGMAR1 (0.44) KDM4ETSHRMAPK1SIGMAR1
SCHEMBL8718156 0.72 SIGMAR1 (0.42) KDM4EKMT2AALDH1A1ADORA2AADORA1
SCHEMBL8713177 0.72 SIGMAR1 (0.40) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL8716243 0.72 ACHE (0.46) POLBKMT2AALDH1A1CYP3A4TSHR

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