SCHEMBL9746269

SCHEMBL9746269

CC(=O)n1c(C)c(C)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
ALDH1A1 P00352 10/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 6/20 0.53
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL27504693 0.85 ALDH1A1 (0.54) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL31668450 0.85 ALDH1A1 (0.54) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3088444 0.83 MAPT (0.50) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3557610 0.83 POLB (0.66) POLBALDH1A1LMNAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL28531727 0.81 MAPT (0.49) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL29787117 0.81 POLB (1.00) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL29771433 0.81 POLB (1.00) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL153365 0.81 POLB (1.00) POLBALDH1A1LMNAKDM4EHSD17B10
SCHEMBL13814102 0.80 MAPT (0.48) POLBALDH1A1LMNAKDM4EHSD17B10
Formamide SCHEMBL4205324 0.78 MAPT (0.46) POLBALDH1A1LMNAKDM4EHSD17B10

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-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed