SCHEMBL125755

SCHEMBL125755

C=C(C)C(=O)OCC(COC(=O)Nc1sccc1C)OC(=O)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL123522 0.93 ADRB2 (0.42) ALDH1A1KDM4ECNR2ADRB2ADRB1
SCHEMBL16143876 0.87 F2R (0.36) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL12018026 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL822783 0.84 ADRB2 (0.47) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL16143885 0.80 MAPT (0.34) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL172229 0.79 ADRB2 (0.45) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL125754 0.79 MAPT (0.40) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL16143796 0.78 PTPN1 (0.36) ALDH1A1KDM4ECNR2HPGDMAPT
SCHEMBL12018021 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL12018025 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9454130-B2 Photopolymer formulations having the adjustable mechanical modulus GUV COVESTRO DEUTSCHLAND AG (DE) 2016-09-27 — — US disclosed
US-20150125784-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV COVESTRO DEUTSCHLAND AG (DE) 2015-05-07 — — US disclosed
US-8921012-B2 Photopolymer formulations having the adjustable mechanical modulus GUV BAYER MATERIALSCIENCE AG (DE) 2014-12-30 — — US disclosed
US-20120219884-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
EP-2317511-B1 Photopolymer formulations with adjustable mechanical module Guv BAYER MATERIALSCIENCE AG (DE) 2012-03-07 — — EP disclosed
EP-2317511-A1 Photopolymer formulations with adjustable mechanical module Guv Bayer MaterialScience AG (DE) 2011-05-04 — — EP disclosed
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