SCHEMBL23399994

SCHEMBL23399994

CCCCn1nc(C)c(CCC)c1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.33
ESR1 P03372 2/20 0.33
TYR P14679 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MPO P05164 2/20 0.30
SLC9A1 P19634 1/20 0.30

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
SCHEMBL23399342 0.95 HPGD (0.36) NR1H3ALDH1A1POLBKMT2AHPGD
SCHEMBL23399242 0.89 ADORA2A (0.42) POLBKMT2AESR1ADORA2AADORA2B
SCHEMBL23402513 0.87 NR1H3 (0.35) NR1H3ALDH1A1POLBKMT2AHPGD
SCHEMBL23402347 0.87 ADORA2A (0.41) ALDH1A1POLBKMT2AHPGDESR1
SCHEMBL23402569 0.84 USP2 (0.35) NR1H3ALDH1A1POLBKMT2AESR1
SCHEMBL23402755 0.83 ADORA2A (0.37) KMT2AESR1ADORA2AADORA2BMAPK1
SCHEMBL23400694 0.82 MPO (0.33) NR1H3ALDH1A1POLBKMT2AESR1
SCHEMBL23398970 0.82 ESR1 (0.33) NR1H3ALDH1A1POLBKMT2AHPGD
SCHEMBL23401345 0.82 HPGD (0.35) NR1H3ALDH1A1POLBKMT2AHPGD
SCHEMBL23402876 0.81 NR1H3 (0.32) NR1H3ALDH1A1POLBKMT2AESR1

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