SCHEMBL8665442

SCHEMBL8665442

OC(=S)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
CALM1 P0DP23 1/20 0.50
IDH1 O75874 1/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 2/20 0.42
PLA2G2A P14555 2/20 0.42
PLA2G10 O15496 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
HNF4A P41235 1/20 0.42
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
ACMSD Q8TDX5 1/20 0.40

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
SCHEMBL11816515 0.87 PRSS1 (0.49) PRSS1PRSS2PRSS3IDH1CA1
SCHEMBL28225587 0.85 PRSS1 (0.47) PRSS1PRSS2PRSS3CALM1IDH1
SCHEMBL11827146 0.85 PRSS1 (0.46) PRSS1PRSS2PRSS3LMNAALDH1A1
SCHEMBL7896302 0.84 PRSS1 (0.68) PRSS1PRSS2PRSS3CALM1IDH1
Thiobenzoic Acid SCHEMBL29060734 0.83 LMNA (0.55) PRSS1PRSS2PRSS3CALM1IDH1
SCHEMBL7992648 0.80 PRSS1 (0.62) PRSS1PRSS2PRSS3CALM1IDH1
SCHEMBL14146996 0.79 PRSS1 (0.61) PRSS1PRSS2PRSS3CALM1IDH1
SCHEMBL38652489 0.79 BCL2 (0.47) PRSS1PRSS2PRSS3BCL2FOLH1
SCHEMBL7443680 0.79 BCL2 (0.47) PRSS1PRSS2PRSS3BCL2FOLH1
SCHEMBL1926951 0.79 FOLH1 (0.66) PRSS1PRSS2PRSS3CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849245-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2020-03-13 CN claimed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
CN-105859742-A Preparation and application of novel hydroxy dihydroartemisinin sulfur-containing ester derivative 中国药科大学 2016-08-17 CN disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US disclosed
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 US disclosed