SCHEMBL7524002

SCHEMBL7524002

c1ccc2c(c1)cc(OP(Oc1cc3ccccc3c3ccccc13)Oc1cc3ccccc3c3ccccc13)c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.50
TRPM4 Q8TD43 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 1/20 0.44
HPRT1 P00492 3/20 0.42
TSHR P16473 2/20 0.40
CYP2A6 P11509 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAD52 P43351 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 3/20 0.36
HPGD P15428 2/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL8159051 0.85 GPR84 (0.49) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL23584964 0.83 GPR84 (0.51) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL27535557 0.83 GPR84 (0.47) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL10963854 0.82 GPR84 (0.46) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL28130040 0.79 GPR84 (0.55) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL8127738 0.79 GPR84 (0.55) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL1128095 0.76 NQO1 (0.56) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL28130039 0.76 TRPM4 (0.52) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL2782522 0.76 GPR84 (0.56) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL3419942 0.74 GPR84 (0.50) GPR84TRPM4ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888364-B1 Process to prepare a multidentate phosphite compound DSM NV (NL) 2002-02-06 EP disclosed
EP-0888274-B1 Process to prepare a terminal aldehyde and catalyst DSM NV (NL) 2000-09-06 EP disclosed
US-6018081-A HYDROFORMYLATION OF AN UNSATURATED COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A CATATYST SYSTEM COMPRISING IRIDIUM OR RHODIUM AND BIDENTATE ORGANIC PHOSPHITE LIGAND OF GIVEN FORMULA; CATALYST SELECTIVITY DSM N.V. (NL) 2000-01-25 US disclosed
US-5874641-A HYDROFORMYLATION CATALYST COMPRISING RHODIUM AND A BIDENTATE PHOSPHITE LIGAND HAVING A 2,2'-DIHYDROXYL-1,1'-BINAPHTHALENE BRIDGE; REACTING CARBON MONOXIDE AND HYDROGEN WITH UNSATURATED HYDROCARBONS, NITRILES OR ESTERS; SELECTIVITY DSM N.V. (NL) 1999-02-23 US disclosed
EP-0888364-A1 PROCESS TO PREPARE A MULTIDENTATE PHOSPHITE COMPOUND DSM N.V. (NL) 1999-01-07 EP disclosed
EP-0888274-A1 PROCESS TO PREPARE A TERMINAL ALDEHYDE DSM N.V. (NL) 1999-01-07 EP disclosed
US-5710306-A REACTING A PHOSPHPHOROCHLORODITE WITH HYDOXY COMPOUND CONTAINING FUSED RING AND HYDROHALOGENATION DSM N.V. (NL) 1998-01-20 US disclosed
WO-1997033892-A1 PROCESS TO PREPARE A MULTIDENTATE PHOSPHITE COMPOUND DSM N.V. (NL) 1997-09-18 WO disclosed
WO-1997033854-A1 PROCESS TO PREPARE A TERMINAL ALDEHYDE DSM N.V. (NL) 1997-09-18 WO disclosed