SCHEMBL9768332

SCHEMBL9768332

O=C(CNc1ccc(O)c(O)c1Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AKR1C3 P42330 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
SCHEMBL9768033 0.82 RAB9A (0.53) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768285 0.82 AGTR1 (0.53) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768156 0.82 AGTR1 (0.53) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768244 0.78 NPC1 (0.49) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768037 0.77 AGTR1 (0.48) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL28095642 0.76 AGTR1 (0.65) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL19707579 0.74 MRGPRX4 (0.58) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768040 0.73 ALDH1A1 (0.52) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768236 0.73 AGTR1 (0.53) AGTR1RAB9AKDM4EKMT2AMEN1
SCHEMBL9768041 0.72 RAB9A (0.44) AGTR1RAB9AKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 — — US disclosed
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