SCHEMBL11544964

SCHEMBL11544964

NC(CCC(=O)O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX5 P09917 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KEAP1 Q14145 1/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40

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
SCHEMBL2030179 0.84 ALOX5 (0.44) HPGDALDH1A1CYP2C19TSHRPOLB
SCHEMBL2481473 0.84 ALOX5 (0.44) HPGDALDH1A1CYP2C19TSHRPOLB
SCHEMBL3351265 0.84 ALOX5 (0.44) HPGDALDH1A1CYP2C19TSHRPOLB
SCHEMBL6499256 0.82 NPC1 (0.48) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL21381235 0.81 CYP2C19 (0.43) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL4368395 0.81 HPGD (0.46) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL4640223 0.79 ALOX5 (0.42) HPGDALDH1A1CYP2C19TSHRPOLB
SCHEMBL14334652 0.78 POLB (0.43) CYP2C19POLBTDP1ALOX5CES2
Hydrochloric Acid SCHEMBL5286030 0.78 ALOX5 (0.41) HPGDALDH1A1CYP2C19TSHRPOLB
Oxalic Acid SCHEMBL1535381 0.77 ALOX5 (0.45) HPGDALDH1A1CYP2C19TSHRCYP2D6

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-4154740-A HERBICIDES, ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed