SCHEMBL9136394

SCHEMBL9136394

O=C(O)c1ccccc1SSc1ccccc1C(=O)O.[CaH2]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.95
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
ALDH1A1 P00352 5/20 0.59
ALOX15 P16050 1/20 0.59
CYP1A2 P05177 1/20 0.59
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
CA6 P23280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL29380162 0.98 POLB (1.00) POLBCA12CA1CA2CA4
SCHEMBL144989 0.98 POLB (1.00) POLBCA12CA1CA2CA4
SCHEMBL28550182 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9132867 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9132929 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9133015 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9134919 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9134295 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL28576293 0.95 POLB (0.95) POLBCA12CA1CA2CA4
SCHEMBL9134423 0.95 POLB (0.95) POLBCA12CA1CA2CA4

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-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed