SCHEMBL11061354

SCHEMBL11061354

CCCC(S)(CCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 3/20 0.33
FDPS P14324 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 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
SCHEMBL10924279 0.90 ALDH1A1 (0.35) FFAR3HDAC1HDAC2HDAC3HDAC8
SCHEMBL11168567 0.87 CES2 (0.42) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL5165391 0.84 AKR1B1 (0.39) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL21206465 0.82 LMNA (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL28923839 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL11859866 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL29260480 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL28384093 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL1043350 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL11173653 0.80 CES2 (0.45) ALDH1A1KMT2AMEN1HSD17B10TSHR

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-4483869-A DETOXIFICATION OF THE LIVER, BURNS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1984-11-20 US disclosed