SCHEMBL8613878

SCHEMBL8613878

CN(C)C(=O)CCSSCCC(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.44
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA4 P43681 2/20 0.41
HPGD P15428 1/20 0.38
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
GAA P10253 1/20 0.31
CHRNA3 P32297 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
SCHEMBL10037300 0.89 TSHR (0.43) ALDH1A1TSHRHSD17B10LMNACHRNB2
SCHEMBL1146513 0.89 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10LMNACHRNB2
SCHEMBL18534154 0.81
SCHEMBL7134945 0.81
SCHEMBL9516370 0.81 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10LMNACHRNB2
SCHEMBL1191256 0.78 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10LMNACHRNB2
SCHEMBL9516323 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10CHRNB2CHRNB4CHRNA4
SCHEMBL15948624 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10LMNACHRNB2
SCHEMBL9516320 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10CHRNB2CHRNB4CHRNA4
SCHEMBL11095507 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10CHRNB2CHRNB4CHRNA4

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
JP-10158163-A None JP disclosed
JP-H10158163-A DIGESTIVE TRACT DISTURBANCE ALLEVIATING AGENT FUJI CHEM IND CO LTD 1998-06-16 JP disclosed