SCHEMBL9160488

SCHEMBL9160488

CCOC(=O)C(CCCCCCCc1cccc2c1OCO2)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MGAM O43451 1/20 0.45
AMY1A P0DUB6 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL9160629 0.85 MTNR1A (0.48) MTNR1AALDH1A1MEN1KMT2AMAPT
SCHEMBL9440359 0.76 MTNR1A (0.48) MTNR1AKDM4C
SCHEMBL9160485 0.75 MGAM (0.42) MGAMAMY1AGAASIMGAM2
SCHEMBL9160573 0.74 MTNR1A (0.56) MTNR1AMAPTKDM4C
SCHEMBL27312668 0.74 MTNR1A (0.52) MTNR1AMGAMAMY1AGAASI
SCHEMBL8481573 0.73 MTNR1A (0.66) MTNR1AGAAALDH1A1SMN1; SMN2
SCHEMBL23891754 0.73 MTNR1A (0.48) MTNR1AMGAMAMY1AGAASI
SCHEMBL17726680 0.72 MTNR1A (0.55) MTNR1AMGAMAMY1AGAASI
SCHEMBL11732644 0.71 CYP3A4 (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11206749 0.71 TDP1 (0.61) ALDH1A1MEN1KMT2AMAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 EP disclosed