SCHEMBL7782492

SCHEMBL7782492

COCC(CBr)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLS O94925 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
LMNA P02545 2/20 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
SCHEMBL7782494 1.00 HPGD (0.41) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL813771 0.87 CYP1A2 (0.50) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL1169267 0.83 CYP1A2 (0.42) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL9246055 0.83 CYP1A2 (0.42) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL11992984 0.81 LMNA (0.45) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL4476581 0.81 LMNA (0.45) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL12819487 0.81 LMNA (0.45) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2
SCHEMBL9452584 0.79 HTR2A (0.43) TSHRCYP2D6CYP1A2SMN1; SMN2PKM
SCHEMBL1259372 0.79 GABBR2 (0.50) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL8401102 0.79 CYP1A2 (0.44) HPGDTSHRCYP2D6CYP1A2SMN1; SMN2

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
CN-1082944-C Novel aspartyl amide derivative and sweetener AJINOMOTO GENERAL FOODS K K (JP) 2002-04-17 CN disclosed
EP-0784050-B1 Novel aspartylamide derivatives and sweeteners AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6010733-A ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2000-01-04 US disclosed
CN-1163261-A Novel aspartyl amide derivative and sweetener AJINOMOTO GENERAL FOODS INC (JP) 1997-10-29 CN disclosed
EP-0784050-A1 Novel aspartylamide derivatives and sweeteners Ajinomoto Co., Inc. (JP) 1997-07-16 EP disclosed