SCHEMBL7754068

SCHEMBL7754068

CSc1ccc(C(C)(C(C)=O)N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 5/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
FKBP1A P62942 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PLK1 P53350 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
SCHEMBL10883604 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL27591390 0.83 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL10888633 0.80 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL13273200 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL27554 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL14246539 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL15023275 0.75 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL12658492 0.75 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL10888543 0.75 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
Hydrochloric Acid SCHEMBL727298 0.75 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A

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
WO-2001044875-A2 MICROMOLDS FABRICATED USING MEMS TECHNOLOGY AND METHODS OF USE THEREFOR NANOGEN, INC. (US) 2001-06-21 WO disclosed