SCHEMBL5837273

SCHEMBL5837273

CCCCCCCCCCCCS(=O)(=O)c1ccccc1Oc1ccccc1S(=O)(=O)O.[Na]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SOAT1 P35610 9/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
S1PR3 Q99500 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL6322286 0.99 EPHX2 (0.46) EPHX2RECQLALDH1A1HTTSOAT1
SCHEMBL5837264 0.97 EPHX2 (0.46) EPHX2RECQLALDH1A1HTTSOAT1
SCHEMBL6926505 0.84 EPHX2 (0.52) EPHX2RECQLALDH1A1HTTTHRA
SCHEMBL5837268 0.83 S1PR1 (0.42) EPHX2ALDH1A1HTTSOAT1
SCHEMBL7791215 0.81 TBXA2R (0.40) THRATHRB
SCHEMBL7791228 0.81 SLC2A1 (0.41) RECQLTHRATHRBCA12CA9
SCHEMBL9390895 0.81 THRA (0.51) ALDH1A1THRATHRB
SCHEMBL5364984 0.81 SLC2A1 (0.41) RECQLTHRATHRBCA12CA9
SCHEMBL3932742 0.81 SLC2A1 (0.41) RECQLTHRATHRBCA12CA9
SCHEMBL7791089 0.81 SLC2A1 (0.41) RECQLTHRATHRBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076445-B2 Carbodiimide comprises a reaction product of aliphatic or araliphatic polyisocyanate, a hydroxycarboxylic acid or its salts and optional other modifiers; physical and mechanical properties, such as tensile strength BASF AG (DE) 2011-12-13 US disclosed
US-7049001-B2 Prepared by reacting an isocyanate-terminated polycarbodiimide with a hydroxy carboxylic acid or salt BASF AKTIENGESELLSCHAFT (DE) 2006-05-23 US disclosed
US-20030220462-A1 Oligocarbodiimides for the formation of crosslinked latex films BASF AG (DE) 2003-11-27 US disclosed
US-6376570-B1 ACRYLATED RESINS BASF AKTIENGESELLSCHAFT (DE) 2002-04-23 US disclosed