SCHEMBL11057743

SCHEMBL11057743

[O-][S+](CCCl)Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CTSD P07339 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
PTGS2 P35354 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2B P41595 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32
DEPTOR Q8TB45 1/20 0.31
IDO1 P14902 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL18460493 0.88 ALDH1A1 (0.34) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL11059719 0.79 TDP1 (0.33) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL13616530 0.76 CES2 (0.38) ALDH1A1MAPTHTT
SCHEMBL11061936 0.73 IDO1 (0.40) ALDH1A1TDP1MAPTALOX12IDO1
SCHEMBL20124844 0.70 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL9816021 0.69 CYP1A2 (0.36) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL2544869 0.69 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL3649073 0.67 CYP3A4 (0.32) TDP1CYP3A4
SCHEMBL21034656 0.66 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10CTSDMAPT
SCHEMBL8278235 0.66 TDP1 (0.43) ALDH1A1TDP1HSD17B10CTSDMAPT

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-4427439-A Composition for plant growth regulation GAF CORPORATION (US) 1984-01-24 US claimed
US-4427439-A Composition for plant growth regulation GAF CORPORATION (US) 1984-01-24 US disclosed