SCHEMBL11294396

SCHEMBL11294396

[CH2]SC(=S)N(CCCC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
ALDH2 P05091 4/20 0.68
MGLL Q99685 4/20 0.48
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA9 Q16790 6/20 0.47
CA2 P00918 4/20 0.47
PKM P14618 3/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
PHGDH O43175 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
PLIN1 O60240 1/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB11 O95342 1/20 0.36
TP53 P04637 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
SCHEMBL11292895 0.91 MGLL (0.60) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL24804 0.81 ALDH1A1 (1.00) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL284603 0.81 ALDH1A1 (0.74) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL3160089 0.79 ALDH1A1 (0.71) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL11159276 0.79 ALDH1A1 (0.95) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL10802513 0.78 ALDH1A1 (0.63) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL7778602 0.78 ALDH1A1 (0.63) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL24360190 0.77 ALDH1A1 (0.91) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL980821 0.77 ALDH1A1 (0.68) ALDH1A1ALDH2MGLLCA12CA1
SCHEMBL8406374 0.77 ALDH1A1 (0.83) ALDH1A1ALDH2MGLLCA12CA1

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-0000352-B1 CYCLIC AROMATIC DIESTERS OF PHOSPHONOUS ACID AND THE ORGANIC MATERIALS STABILIZED BY THEM CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed
US-4276232-A FOR PLASTICS AND ELASTOMERS CIBA-GEIGY CORPORATION (US) 1981-06-30 US disclosed