SCHEMBL8422160

SCHEMBL8422160

C=CC(=O)OCC(O)CNC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KISS1R Q969F8 2/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
Hydrochloric Acid SCHEMBL5696148 0.98 TSHR (0.53) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL9503569 0.89 TSHR (0.45) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL21341700 0.82 TSHR (0.51) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL95157 0.82 TSHR (0.64) TSHRALDH1A1HPGDADRB2ADRB1
Acrylic Acid Methyl Ester SCHEMBL27859782 0.81 TSHR (0.59) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL8437347 0.81 ADRB2 (0.54) TSHRADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL9139239 0.81 KDM4E (0.52) TSHRALDH1A1HPGDADRB2ADRB1
Dimethylamine SCHEMBL1302761 0.80 TSHR (0.53) TSHRALDH1A1HPGDADRB2ADRB1
Dimethylamine SCHEMBL1302137 0.80 TSHR (0.53) TSHRALDH1A1HPGDADRB2ADRB1
Dimethylamine SCHEMBL1303219 0.80 TSHR (0.53) TSHRALDH1A1HPGDADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US claimed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP claimed
EP-2657304-B1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS MENICON CO LTD (JP) 2022-12-07 EP disclosed
EP-2657304-A1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-10-30 EP disclosed
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US disclosed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP disclosed
US-3976824-A Treating agent useful for fibrous materials and preparation thereof ARAKAWA RINSAN KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-08-24 US disclosed