SCHEMBL123522

SCHEMBL123522

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ CDC25A P30304 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ APBA1 Q02410 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL125755 0.93 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL16143885 0.87 MAPT (0.34) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL16143796 0.85 PTPN1 (0.36) ALDH1A1KDM4ECNR2HPGDMAPT
SCHEMBL12018025 0.85 ALDH1A1 (0.48) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL822783 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL16143876 0.80 F2R (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL123521 0.79 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL12018022 0.78 ALDH1A1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL12018026 0.77 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL12018024 0.76 CHRNB2 (0.49) ADRB2ADRB1ADRB3ALDH1A1KDM4E

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
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
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 — — EP 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
WO-2011054749-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER MATERIALSCIENCE AG (DE) 2011-05-12 — — WO disclosed
EP-2317511-A1 Photopolymer formulations with adjustable mechanical module Guv Bayer MaterialScience AG (DE) 2011-05-04 — — EP disclosed
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