SCHEMBL9509897

SCHEMBL9509897

NCCCCCOC(=S)CCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
LMNA P02545 3/20 0.36
BLM P54132 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.36
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLG P00747 1/20 0.34

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
Hydrochloric Acid SCHEMBL9125146 0.98 DNM1 (0.35) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL9126840 0.89 DNM1 (0.35) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL9126281 0.88 ODC1 (0.36) LMNABLMTSHRTHRBKMT2A
Hydrochloric Acid SCHEMBL9128694 0.84 BLM (0.38) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL9125637 0.84 CYP1A2 (0.35) LMNABLMTSHRTHRBKMT2A
SCHEMBL8956658 0.83 CHRM2 (0.36) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL9127302 0.82 CA12 (0.36) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL8975920 0.82 CHRM2 (0.35) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL8975863 0.79 PAOX (0.32) CA12CA1CA2CA9DNM1
Hydrochloric Acid SCHEMBL8975964 0.79 CHRM2 (0.36) CA12CA1CA2CA9DNM1

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
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed