SCHEMBL7890971

SCHEMBL7890971

CCOC(=O)CC(C)CNNC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 6/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
FAAH O00519 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27767083 0.86 L3MBTL1 (0.48) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL8910055 0.81 RAB9A (0.54) NPC1SMN1; SMN2RAB9AALDH1A1HDAC3
SCHEMBL8657200 0.77 L3MBTL1 (0.59) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL8972504 0.77 RAB9A (0.57) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL5592711 0.76 RAB9A (0.58) NPC1SMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL9109787 0.76 L3MBTL1 (0.51) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL27158903 0.75 L3MBTL1 (0.67) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL27741339 0.75 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL28242828 0.75 ALDH1A1 (0.48) L3MBTL1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL28242850 0.75 ALDH1A1 (0.48) L3MBTL1NPC1SMN1; SMN2RAB9AGAA

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-6191284-B1 A FERROCENEYLPHOSPHINE LIGAND AND COMPLEXES USEFUL FOR HOMOGENEOUS CATALYTIC ENANTIOSELECTIVE HYDROGENATION DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed