SCHEMBL7020487

SCHEMBL7020487

O=C(S)c1ccc(C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
FOLH1 Q04609 1/20 0.46
PTPN1 P18031 2/20 0.46
HNF4A P41235 3/20 0.44
CDC25B P30305 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
CDC25A P30304 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL70541 0.87 KDM4E (0.56) PTPN1HNF4ACDC25BACMSDCDC25A
Hydrochloric Acid SCHEMBL28890344 0.85 KDM4E (0.55) PTPN1HNF4ACDC25BACMSDCDC25A
Terephthalic Acid SCHEMBL28437947 0.85 KDM4E (0.55) PTPN1HNF4ACDC25BCDC25AHSD17B10
SCHEMBL11636373 0.85 TSHR (0.46) CA1CA2FOLH1DCLRE1BKDM4E
SCHEMBL27662171 0.84 HNF4A (0.55) PTPN1HNF4ACDC25BACMSDATM
SCHEMBL30777933 0.84 HNF4A (0.55) PTPN1HNF4ACDC25BACMSDATM
SCHEMBL27876852 0.82 AKR1C3 (0.55) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL16584809 0.82 BCAT2 (0.52) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL11750400 0.82 PTPN1 (0.46) FOLH1PTPN1HNF4ACDC25BACMSD
Benzene SCHEMBL28149666 0.82 PTPN1 (0.46) FOLH1PTPN1HNF4ACDC25BACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 WO disclosed
US-4931534-A Thermotropic aromatic polyesters, a process for their production and their use for the production of moldings, filaments, fibers and films BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
US-4103015-A TRICYCLIC THIOXANTHONE-10,10-DIOXIDES BURROUGHS WELLCOME CO. (US) 1978-07-25 US disclosed