SCHEMBL7589310

SCHEMBL7589310

CSc1ccc([CH]C(C)(C=O)N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
PAX8 Q06710 1/20 0.31

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
SCHEMBL303714 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL80420 0.75 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL20723880 0.75 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL13273200 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL960704 0.73 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL28534307 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL22444356 0.72 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL29256744 0.72 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
Formic Acid SCHEMBL28563317 0.71 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL7754068 0.70 ALDH1A1 (0.62) 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
US-20020137818-A1 Ink composition for solder resist KOLON INDUSTRIES INC. (KR) 2002-09-26 US disclosed