SCHEMBL7794901

SCHEMBL7794901

C=C(C)C(=O)OC(CC)CCCOc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 6/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER1 P34995 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
CTSA P10619 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7794898 0.88 PPARD (0.41) PTGDR2PPARDKDM4EPKMMEN1
SCHEMBL7528255 0.86 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2PTGDR2PPARD
SCHEMBL8444306 0.85 KDM4E (0.49) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL28601736 0.83 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2PTGDR2PPARD
SCHEMBL28481945 0.79 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2PTGDR2PPARD
SCHEMBL18863889 0.75 ALDH1A1 (0.48) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7528252 0.74 PPARD (0.41) PTGDR2PPARDKDM4EPKMMEN1
SCHEMBL29678079 0.74 CYP11B1 (0.58) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL9206760 0.74 CYP11B1 (0.58) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL9213631 0.74 CYP11B1 (0.61) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669548-B1 Optical element and process for producing the same FUJI XEROX CO LTD (JP) 2001-12-12 EP disclosed
US-5691092-A FORMING LIQUID CRYSTALLINE POLYMER ON SUBSTRATE; PROTECTIVE LAYER; HEATING; CROSSLINKING FUJI XEROX CO., LTD. (JP) 1997-11-25 US disclosed
US-5670083-A CROSSLINKED LIQUID CRYSTAL POLYMER FUJI XEROX CO., LTD. (JP) 1997-09-23 US disclosed
US-5589237-A SUBSTRATE WITH RECORDING LAYER CONTAINING SIDE CHAIN LIQUID CRYSTAL COPOLYMER INCLUDING LIQUID CRYSTAL AND NON-LIQUID CRYSTAL MONOMER UNITS CAPABLE OF HYDROGEN BONDING; REPEATEDLY SWITCHABLE BY ACTION OF HEAT, ELECTRICITY, MAGNETISM FUJI XEROX CO., LTD. (JP) 1996-12-31 US disclosed
EP-0669548-A1 Optical element and process for producing the same FUJI XEROX CO., LTD. (JP) 1995-08-30 EP disclosed