SCHEMBL7606867

SCHEMBL7606867

CC(O)C(NCC(c1ccc(O)cc1)c1ccc(O)cc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ADRA1A P35348 3/20 0.48
CYP2D6 P10635 3/20 0.48
SLC6A2 P23975 3/20 0.48
HTR1A P08908 3/20 0.48
CYP1A2 P05177 2/20 0.48
ADRA2A P08913 2/20 0.48
CYP2C19 P33261 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
CDK1 P06493 1/20 0.48
MAPK1 P28482 2/20 0.47
MITF O75030 1/20 0.44
ADRB2 P07550 2/20 0.40

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
SCHEMBL7610419 0.86 KMT2A (0.54) HIF1AMEN1KMT2AADRA1ACYP2D6
SCHEMBL7615186 0.82 MAPT (0.49) MEN1KMT2ACYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7608379 0.81 MEN1 (0.37) HIF1AMEN1KMT2AADRA1ACYP2D6
SCHEMBL7609912 0.81 GLA (0.50) MEN1KMT2ALMNAMTNR1AMTNR1B
SCHEMBL7611675 0.80 ADRB2 (0.41) HIF1ACYP2D6CYP1A2ADRB2ADRB1
Hydrochloric Acid SCHEMBL7769570 0.80 HIF1A (0.50) HIF1AMEN1KMT2AADRA1ACYP2D6
SCHEMBL7611182 0.77 GAA (0.44) MEN1KMT2AADRB2ADRB1LMNA
SCHEMBL7041023 0.77 HIF1A (0.61) HIF1AMEN1KMT2AADRA1ACYP2D6
SCHEMBL7610435 0.76 ADRB2 (0.52) MEN1KMT2AADRA1ACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL7040330 0.76 HIF1A (0.62) HIF1AMEN1KMT2AADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed