SCHEMBL625565

SCHEMBL625565

O=C1CCCC1=Cc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.79
HTT P42858 5/20 0.79
RAB9A P51151 5/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
ATM Q13315 2/20 0.79
ALDH1A1 P00352 5/20 0.64
CYP19A1 P11511 8/20 0.61
CYP11B1 P15538 6/20 0.61
CYP11B2 P19099 6/20 0.61
LMNA P02545 4/20 0.55
MITF O75030 3/20 0.55
NPC1 O15118 1/20 0.55
NSD2 O96028 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.55
MIF P14174 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51

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
SCHEMBL5593668 0.97 MAPT (0.73) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL5594253 0.97 MAPT (0.73) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL624720 0.97 MAPT (0.73) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL17899491 0.88 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL30852828 0.81 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL30852868 0.81 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL28896748 0.80 MAPT (0.52) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL28896746 0.80 MAPT (0.52) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL625539 0.79 HTT (0.76) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL17899482 0.78 MAPT (0.60) MAPTHTTRAB9ASMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN claimed
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN disclosed
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN disclosed
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed