SCHEMBL9577384

SCHEMBL9577384

Nc1ccc(C(S)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM8 O00222 1/20 0.40
GRM7 Q14831 1/20 0.40
GRM4 Q14833 1/20 0.40
CNR2 P34972 2/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL997295 0.88 SRC (0.42) TDP1MAPTMEN1KMT2AHIF1A
SCHEMBL991240 0.79 SRC (0.50) TDP1MAPTRAB9AMEN1KMT2A
SCHEMBL74366 0.78 SRC (0.56) TDP1CYP2D6SRCCYP2C19
SCHEMBL9835478 0.77 CYP2C9 (0.46) POLBMEN1KMT2AHSD17B10CYP3A4
SCHEMBL7402774 0.77 ALDH1A1 (0.44) POLBSMN1; SMN2CNR2CNR1MAPT
SCHEMBL28474964 0.77 LDHA (0.45) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL11259540 0.77 HDAC3 (0.45) SMN1; SMN2CNR2ALDH1A1
SCHEMBL7823663 0.77 ALDH1A1 (0.44) POLBSMN1; SMN2CNR2CNR1MAPT
SCHEMBL11155958 0.76 SRC (0.61) TDP1POLBSMN1; SMN2GRM8GRM7
Hydrochloric Acid SCHEMBL8340022 0.76 SRC (0.54) TDP1CYP2D6SRC

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-5237074-A Diels-alder reaction using maleic anhydride NEW JAPAN CHEMICAL CO., LTD. (JP) 1993-08-17 US disclosed
US-4283542-A BY REACTING PHOSPHATE ESTER WITH AN AMINE TO PRODUCE AN AMPHOTERIC SURFACTANT MONA INDUSTRIES (US) 1981-08-11 US disclosed