SCHEMBL2057023

SCHEMBL2057023

NOCc1ccc(C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN6 P29350 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ IDO1 P14902 4/20 0.47
▸ HNF4A P41235 1/20 0.46
▸ AGXT P21549 5/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ FOLH1 Q04609 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8961442 0.84 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL14303025 0.81 PTPN1 (0.57) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL9440497 0.80 PTPN1 (0.55) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL6511913 0.80 PTPN1 (0.55) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL310681 0.79 PTPN1 (0.58) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL2146135 0.78 PTPN1 (0.53) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL6772376 0.77 TSHR (0.69) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL6441850 0.76 PTPN1 (0.62) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL2057026 0.76 TSHR (0.50) PTPN1PTPN2PTPN6TSHRIDO1
SCHEMBL542829 0.76 LTB4R (0.60) ALDH1A1

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
US-7893253-B2 Aminating reducing sugar; mass spectrometry MERCK PATENT GMBH (DE) 2011-02-22 — — US disclosed
EP-1846765-B1 SOLID-PHASE OLIGOSACCHARIDE TAGGING: A TECHNIQUE FOR MANIPULATION OF IMMOBILIZED CARBOHYDRATES MERCK PATENT GMBH (DE) 2009-05-27 — — EP disclosed
US-20080227092-A1 Solid-Phase Oligosaccharide Tagging: a Technique for Manipulation of Immobilized Carbohydrates MERCK PATENT GESELLSCHAFT (DE) 2008-09-18 — — US disclosed
EP-1846765-A1 SOLID-PHASE OLIGOSACCHARIDE TAGGING: A TECHNIQUE FOR MANIPULATION OF IMMOBILIZED CARBOHYDRATES Carlsberg A/S (DK) 2007-10-24 — — EP disclosed
WO-2006084461-A1 SOLID-PHASE OLIGOSACCHARIDE TAGGING: A TECHNIQUE FOR MANIPULATION OF IMMOBILIZED CARBOHYDRATES MERCK PATENT GMBH (DE) 2006-08-17 — — WO disclosed
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