SCHEMBL23399302

SCHEMBL23399302

CCCc1nn(C(C)(C)C)c(O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
RCE1 Q9Y256 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GCGR P47871 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.33
DHFR P00374 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL23399675 0.92 HPGD (0.41) SMN1; SMN2HPGDKDM4EGAARCE1
SCHEMBL23401797 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HPGDKDM4EGAARCE1
SCHEMBL23399466 0.87 DPP4 (0.41) SMN1; SMN2HPGDKDM4EGAAGCGR
SCHEMBL23400228 0.81 USP2 (0.44) SMN1; SMN2KDM5BKDM4EGAAALDH1A1
SCHEMBL23399929 0.80 PDE5A (0.45) SMN1; SMN2KDM5BKDM4EGAAGCGR
SCHEMBL23402974 0.79 HTR2A (0.44) SMN1; SMN2HPGDKDM5BKDM4EGAA
SCHEMBL23403484 0.79 KDM5B (0.39) SMN1; SMN2KDM5BKDM4EGAARCE1
SCHEMBL23400425 0.78 KMT2A (0.40) KDM5BKDM4EGAAGCGRALDH1A1
SCHEMBL23400097 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23401530 0.76 SMN1; SMN2 (0.66) SMN1; SMN2HPGDKDM4EGAAALDH1A1

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