SCHEMBL9768909

SCHEMBL9768909

CCOc1ccccc1N(CC)CCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
OGT O15294 1/20 0.38
GAA P10253 1/20 0.38
HCRTR1 O43613 1/20 0.38
ESR1 P03372 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL9298623 0.79 ALDH1A1 (0.50) LMNATDP1MAPTGLAL3MBTL1
SCHEMBL9631140 0.79 CYP3A4 (0.41) LMNAKMT2ATP53MAPTL3MBTL1
SCHEMBL11680442 0.74 LTA4H (0.43) LMNATP53MAPTL3MBTL1ALDH1A1
SCHEMBL13230069 0.73 L3MBTL1 (0.56) LMNATDP1MAPTGLAL3MBTL1
SCHEMBL6850621 0.73 TSHR (0.47) KMT2AMAPTGLAL3MBTL1ALDH1A1
SCHEMBL9294403 0.73 ALDH1A1 (0.44) LMNATDP1KMT2AMAPTL3MBTL1
SCHEMBL2345627 0.72 L3MBTL1 (0.54) LMNATDP1KMT2AMAPTGLA
SCHEMBL11528402 0.71 CYP3A4 (0.36) KMT2AL3MBTL1ALDH1A1HSD17B10ESR1
SCHEMBL6311459 0.71 ESR1 (0.39) LMNAKMT2ATP53MAPTL3MBTL1
SCHEMBL11651196 0.71 NR3C1 (0.47) LTA4H

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-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed