SCHEMBL9824488

SCHEMBL9824488

COc1ccc(C=Cc2ccccc2)c(CCC(C)NCCc2ccc(OC)c(OC)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
OPRD1 P41143 2/20 0.44
NSD2 O96028 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC2A1 P11166 1/20 0.44
ADRB2 P07550 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL9824483 1.00 MAPT (0.48) MAPTHTTCYP1A1CYP1A2CYP1B1
Oxalic Acid SCHEMBL9824967 0.95 MAPT (0.51) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL9824630 0.91 SLC2A1 (0.49) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL10759050 0.91 SLC2A1 (0.49) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL9824503 0.91 SLC2A1 (0.49) MAPTHTTCYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9824621 0.90 SLC2A1 (0.48) MAPTHTTCYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9824367 0.90 SLC2A1 (0.48) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL9824584 0.86 SIGMAR1 (0.52) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL9824510 0.86 SIGMAR1 (0.52) MAPTHTTCYP1A1CYP1A2CYP1B1
SCHEMBL9824139 0.82 CYP1A2 (0.46) MAPTCYP1A1CYP1A2CYP1B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP claimed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP claimed
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP disclosed