SCHEMBL8083192

SCHEMBL8083192

CC(C)NCC(O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
HIF1A Q16665 3/20 0.57
MEN1 O00255 3/20 0.57
CYP1A2 P05177 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP2D6 P10635 1/20 0.57
ADRB2 P07550 5/20 0.52
MAPT P10636 4/20 0.52
ADRB1 P08588 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
ADRB3 P13945 2/20 0.52
MTOR P42345 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ADRA1A P35348 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL1102393 0.75 MEN1 (0.53) HIF1AMEN1CYP1A2KMT2ACYP2D6
Pronetalol SCHEMBL31108442 0.73 TSHR (1.00) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL12386886 0.73 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ACYP2D6MAPT
Pronetalol SCHEMBL78996 0.73 TSHR (1.00) TSHRHIF1AMEN1CYP1A2KMT2A
Pronetalol SCHEMBL9666931 0.73 TSHR (1.00) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL30765633 0.72 MAPT (0.55) MEN1CYP1A2KMT2ACYP2D6MAPT
SCHEMBL22787856 0.72 MAPT (0.50) MEN1CYP1A2KMT2ACYP2D6MAPT
SCHEMBL30765515 0.72 MAPT (0.55) MEN1CYP1A2KMT2ACYP2D6MAPT
SCHEMBL30765533 0.72 MAPT (0.55) MEN1CYP1A2KMT2ACYP2D6MAPT
SCHEMBL3147148 0.72 LMNA (0.50) MEN1KMT2ACYP2D6MAPTKDM4E

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
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US claimed
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed