SCHEMBL11544900

SCHEMBL11544900

CCCCCCCCC(CCCCCCCCC(=S)N1CCOCC1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.39
CTSS P25774 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11543689 0.90 HTT (0.47) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4288265 0.84 ALDH1A1 (0.49) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL12702680 0.84 ALDH1A1 (0.49) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9871000 0.83 HTT (0.49) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11543554 0.78 PAOX (0.51) HTTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL23309792 0.77 HTT (0.43) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL21259228 0.77 HTT (0.48) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL21755157 0.77 HTT (0.48) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL20746932 0.77 HTT (0.48) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19522401 0.77 HTT (0.48) HTTALDH1A1LMNASMN1; SMN2MEN1

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-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed
US-4144256-A FATTY AMIDE SUBSTITUTED WITH ACETYLTHIO GROUP OR GROUPS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1979-03-13 US disclosed