SCHEMBL1389241

SCHEMBL1389241

C1=CC2CCC1C2.Cc1c(C=CC(=O)O)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
ALDH1A1 P00352 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NFKB1 P19838 1/20 0.33
CA4 P22748 1/20 0.33
TDO2 P48775 1/20 0.32
AR P10275 1/20 0.32
ESR1 P03372 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC4 P56524 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.30
MPI P34949 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MET P08581 1/20 0.30
PTPN11 Q06124 1/20 0.30
NR0B2 Q15466 1/20 0.30

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
SCHEMBL8055895 0.86 MIF (0.53) MIFALDH1A1CA1CA2NFKB1
SCHEMBL8055896 0.86 MIF (0.53) MIFALDH1A1CA1CA2NFKB1
SCHEMBL1389379 0.84 KDM4E (0.39) MIFALDH1A1CA1CA2NFKB1
SCHEMBL213294 0.79 TDO2 (0.43) MIFTDO2ESR1SMN1; SMN2KDM4E
SCHEMBL212233 0.75 CA1 (0.46) ALDH1A1CA1CA2NFKB1CA4
SCHEMBL28791758 0.75 MIF (0.54) MIFALDH1A1CA1CA2NFKB1
SCHEMBL16440052 0.74 TDO2 (0.41) MIFALDH1A1TDO2ESR1KDM4E
SCHEMBL585287 0.74 MIF (0.53) MIFALDH1A1CA1CA2NFKB1
SCHEMBL585286 0.74 MIF (0.53) MIFALDH1A1CA1CA2NFKB1
SCHEMBL16353477 0.73 PTGER3 (0.40) MIFALDH1A1ESR1SMN1; SMN2KDM4E

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-2386588-B1 NORBORNENE POLYMER INCLUDING PHOTOREACTIVE FUNCTIONAL GROUP THAT HAS HALOGEN SUBSTITUENT, METHOD FOR PREPARING THE SAME, AND ALIGNMENT LAYER USING THE SAME LG CHEMICAL LTD (KR) 2015-08-19 EP claimed
EP-2386588-B1 NORBORNENE POLYMER INCLUDING PHOTOREACTIVE FUNCTIONAL GROUP THAT HAS HALOGEN SUBSTITUENT, METHOD FOR PREPARING THE SAME, AND ALIGNMENT LAYER USING THE SAME LG CHEMICAL LTD (KR) 2015-08-19 EP disclosed
US-8343597-B2 Norbornene polymer comprising photoreactive functional group having halogen substituent group, process for preparing the same, and alignment layer using the same LG CHEM, LTD. (KR) 2013-01-01 US disclosed
US-8231946-B2 Norbornene polymer comprising photoreactive functional group having halogen substituent group, process for preparing the same, and alignment layer using the same LG CHEM, LTD. (KR) 2012-07-31 US disclosed
US-20120009359-A1 NORBORNENE POLYMER COMPRISING PHOTOREACTIVE FUNCTIONAL GROUP HAVING HALOGEN SUBSTITUENT GROUP, PROCESS FOR PREPARING THE SAME, AND ALIGNMENT LAYER USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
EP-2386588-A2 NORBORNENE POLYMER INCLUDING PHOTOREACTIVE FUNCTIONAL GROUP THAT HAS HALOGEN SUBSTITUENT, METHOD FOR PREPARING THE SAME, AND ALIGNMENT LAYER USING THE SAME LG Chem, Ltd. (KR) 2011-11-16 EP disclosed
US-8038662-B2 Incontinence article in the form of pants PAUL HARTMANN AKTIENGESELLSCHAFT (DE) 2011-10-18 US disclosed
US-20110213048-A1 NORBORNENE POLYMER COMPRISING PHOTOREACTIVE FUNCTIONAL GROUP HAVING HALOGEN SUBSTITUENT GROUP, PROCESS FOR PREPARING THE SAME, AND ALIGNMENT LAYER USING THE SAME LG CHEM, LTD. (KR) 2011-09-01 US disclosed