SCHEMBL2356535

SCHEMBL2356535

O=C(Oc1ccc(Oc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL12442879 0.91 ELANE (0.42) ELANECA1CA2HSD17B10KMT2A
SCHEMBL2833915 0.88 KMT2A (0.49) CA1CA2HSD17B10KMT2AALDH1A1
SCHEMBL532804 0.84 LMNA (0.53) CA1CA2KMT2AALDH1A1MAPT
SCHEMBL2835534 0.83 HPGD (0.50) HSD17B10ALDH1A1HPGDPARP10MAPT
SCHEMBL28982593 0.82 F2 (0.47) CA1CA2HSD17B10KMT2AALDH1A1
SCHEMBL19626821 0.82 CA1 (0.52) CA1CA2HSD17B10KMT2AALDH1A1
SCHEMBL22004264 0.81 KMT2A (0.48) HSD17B10KMT2AHPGDPARP10MAPT
SCHEMBL2220747 0.80 MAPT (0.46) ELANECA1CA2HSD17B10KMT2A
SCHEMBL941559 0.80 CA1 (0.39) CA1CA2HSD17B10KMT2AALDH1A1
SCHEMBL19626883 0.79 CA1 (0.50) CA1CA2HSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1600471-B1 Fluorine-containing compound NIPPON CATALYTIC CHEM IND (JP) 2011-08-24 EP disclosed
US-20110175092-A1 ORGANIC SEMICONDUCTOR ELEMENT, METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT, ELECTRONIC DEVICE, ELECTRONIC EQUIPMENT AND INSULATING LAYER FORMING COMPOSITION E INK CORPORATION 2011-07-21 US disclosed
US-20110175092-A1 ORGANIC SEMICONDUCTOR ELEMENT, METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT, ELECTRONIC DEVICE, ELECTRONIC EQUIPMENT AND INSULATING LAYER FORMING COMPOSITION E INK CORPORATION 2011-07-21 US disclosed
US-7678881-B2 Transparent resin material NIPPON SHOKUBAI CO., LTD. (JP) 2010-03-16 US disclosed
US-7589228-B2 Fluorine-containing compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-09-15 US disclosed
US-20050282996-A1 polycarbonates; polyphenylene ethers; fluoropolymers; optical fiber, optical waveguide, optical recording disk, optical film; waterproofing; heat resistance NIPPON SHOKUBAI CO., LTD. (JP) 2005-12-22 US disclosed
US-20050265686-A1 FLUORINE-CONTAINING COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2005-12-01 US disclosed
EP-1600797-A1 Transparent resin material Nippon Shokubai Co., Ltd. (JP) 2005-11-30 EP disclosed
EP-1600471-A1 Fluorine-containing compound Nippon Shokubai Co., Ltd. (JP) 2005-11-30 EP disclosed