SCHEMBL23400007

SCHEMBL23400007

CCCc1c(-c2ccccc2)c(O)nn1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 2/20 0.37
CNR1 P21554 1/20 0.37
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
SLC9A1 P19634 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL23402369 0.91 HSD11B1 (0.41) MAPTTSHRKMT2AKDM4EMEN1
SCHEMBL23401174 0.91 NR1H3 (0.47) MAPTTSHRKMT2AKDM4EMEN1
SCHEMBL23401127 0.89 SMN1; SMN2 (0.39) MAPTKMT2AKDM4EMEN1CRHBP
SCHEMBL23399301 0.89 CASP1 (0.40) MAPTTSHRKMT2AKDM4EMEN1
SCHEMBL23403122 0.87 ESR1 (0.36) MAPTKMT2AKDM4EMEN1GAA
SCHEMBL23400129 0.85 NR1H3 (0.47) MAPTTSHRKMT2AKDM4EMEN1
SCHEMBL23398991 0.84 MAPT (0.39) MAPTTSHRKMT2AKDM4EGAA
SCHEMBL23401533 0.84 DPP4 (0.38) MAPTCNR1ALDH1A1TP53SMN1; SMN2
SCHEMBL23401361 0.84 MEN1 (0.37) MAPTTSHRKMT2AKDM4EMEN1
SCHEMBL23400439 0.81 ESR1 (0.42) MAPTTSHRKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed