SCHEMBL6551228

SCHEMBL6551228

COC(=O)c1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8421994 0.95 ALDH1A1 (0.55) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9676578 0.91 ALDH1A1 (0.64) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16957915 0.88 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3833516 0.87 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1497989 0.85 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2521491 0.85 HPGD (0.52) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1032670 0.85 ALDH1A1 (0.68) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL206164 0.85 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL27746873 0.85 ALDH1A1 (0.61) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7369896 0.85 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344743-B High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-11-26 CN claimed
CN-118344743-A High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-07-16 CN claimed
EP-0948607-A1 IMMOBILIZED ESTERASES FROM CRUDE EXTRACT AND THEIR USE Schering Aktiengesellschaft (DE) 1999-10-13 EP claimed
WO-1998026055-A9 IMMOBILIZED ESTERASES FROM CRUDE EXTRACT AND THEIR USE 1998-12-17 WO claimed
WO-1998026055-A1 IMMOBILIZED ESTERASES FROM CRUDE EXTRACT AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-18 WO claimed
CN-118344743-B High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-11-26 CN disclosed
CN-118344743-A High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-07-16 CN disclosed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 WO disclosed
CN-1162307-A Heterocyclylamino and heterocyclyloxy-cycloalkenyl derivatives and their use as pest-control agents and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-15 CN disclosed
CN-1161034-A Substituted cycloalkylamino and cycloalkoxy heterocycles, process for preparing the same and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-01 CN disclosed
CN-1161037-A Substituted spiroalkylamino and spiroalkoxy heterocycles, process for their preparation and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-01 CN disclosed
US-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed