SCHEMBL23400930

SCHEMBL23400930

CCCCn1cc(O)c(-c2ccc(C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR8 Q9NR97 1/20 0.40
DUSP3 P51452 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL23399470 0.91 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL23401285 0.86 PTGIR (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL23399218 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL23399888 0.83 TLR8 (0.44) KMT2AMEN1TLR8HDAC8HDAC6
SCHEMBL16974043 0.80 KMT2A (0.52) ALDH1A1MAPTNR1H4KMT2AMEN1
SCHEMBL23401591 0.80 MEN1 (0.41) ALDH1A1MAPTNR1H4KMT2AMEN1
SCHEMBL23400975 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL23399083 0.77 TLR8 (0.41) MAPTRAB9ASMN1; SMN2TLR8ESR1
SCHEMBL23402101 0.76 PTGIR (0.44) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL23400625 0.75 TYR (0.41) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2

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