SCHEMBL9276802

SCHEMBL9276802

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.41
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
CHRM1 P11229 1/20 0.33

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
SCHEMBL1849072 0.77 RNPEP (0.42) RNPEPALDH1A1MAPTPTGS1TDP1
SCHEMBL10960828 0.75 ALDH1A1 (0.36) RNPEPALDH1A1MAPTPTGS1TDP1
SCHEMBL22836202 0.73 PTGS1 (0.56) ALDH1A1MAPTPTGS1TDP1CHRM1
SCHEMBL401408 0.73 RNPEP (0.39) RNPEPALDH1A1MAPTPTGS1TDP1
SCHEMBL9866977 0.70
SCHEMBL300184 0.69
SCHEMBL20663428 0.69 RNPEP (0.36) RNPEP
SCHEMBL27945194 0.68 RNPEP (0.34) RNPEPALDH1A1MAPTPTGS1TDP1
SCHEMBL4325459 0.67
SCHEMBL27345525 0.67 PIN1 (0.36) RNPEPALDH1A1HSD17B10KDM4EMEN1

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
EP-0640114-A1 SULFUR-VULCANIZED RUBBER COMPOSITION Akzo Nobel N.V. (NL) 1995-03-01 EP disclosed
WO-1993023467-A1 SULFUR-VULCANIZED RUBBER COMPOSITION AKZO NOBEL N.V. (NL) 1993-11-25 WO disclosed