SCHEMBL23403241

SCHEMBL23403241

CCCCc1c(CCC)nn(CCC)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
POLB P06746 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
SCHEMBL23402191 0.95 HPGD (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401345 0.93 HPGD (0.35) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401474 0.93 NPC1 (0.32) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23399577 0.91 USP2 (0.36) MAPK1NPSR1USP2KDM4EADORA2A
SCHEMBL23399990 0.88 USP2 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402468 0.87 HPGD (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402569 0.87 USP2 (0.35) USP2KMT2AALDH1A1ESR1POLB
SCHEMBL23401518 0.87 NPC1 (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23400647 0.87 USP2 (0.40) USP2ADORA2AADORA2B
SCHEMBL23398970 0.86 ESR1 (0.33) HPGDNPC1MAPK1HTTRAB9A

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