SCHEMBL4649727

SCHEMBL4649727

Cc1ccc(S(=O)(=O)Oc2ccc(C(c3ccc(OS(=O)(=O)c4ccc(C)cc4)c([N+](=O)[O-])c3)(C(F)(F)F)C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GFER P55789 1/20 0.38
GPR17 Q13304 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL10702712 0.88 LMNA (0.44) LMNAMAPK1SMN1; SMN2TDP1MASP2
SCHEMBL9575552 0.88 PTPN1 (0.39) LMNAMAPK1SMN1; SMN2TDP1MASP2
SCHEMBL3844085 0.84 KMT2A (0.42) LMNAMAPK1SMN1; SMN2TDP1MAPT
SCHEMBL9575509 0.83 MASP2 (0.41) LMNAMAPK1SMN1; SMN2TDP1MASP2
SCHEMBL30062473 0.79 ALPL (0.48) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5148413 0.79 ALPL (0.48) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8241642 0.79 ALDH1A1 (0.54) LMNAMAPK1SMN1; SMN2MAPTKMT2A
SCHEMBL7519257 0.78 CYP1A2 (0.51) LMNAMAPK1SMN1; SMN2TDP1MAPT
SCHEMBL3840693 0.77 LMNA (0.43) LMNAMAPK1MAPTPTPN1KMT2A
Hydrazine SCHEMBL11393765 0.77 MEN1 (0.47) LMNATDP1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP claimed
EP-1245635-B1 FLUOROELASTOMER COMPOSITION FOR CROSSLINKING DAIKIN IND LTD (JP) 2008-09-03 EP disclosed
US-6878778-B1 Fluoroelastomer composition for crosslinking DAIKIN INDUSTRIES, LTD. (JP) 2005-04-12 US disclosed
EP-1245635-A1 FLUOROELASTOMER COMPOSITION FOR CROSSLINKING Daikin Industries, Ltd. (JP) 2002-10-02 EP disclosed
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-5028728-A Process for the preparation of reaction products of 2,2-bis-(4-hydroxphenyl)-hexafluoropropane and new derivatives of this type HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed