SCHEMBL23401591

SCHEMBL23401591

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR8 Q9NR97 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GCGR P47871 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ATM Q13315 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL23403474 0.92 MEN1 (0.39) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL23403702 0.86 PTGIR (0.47) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL23398807 0.85 COMT (0.41) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL23402507 0.82 TLR8 (0.45) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23400930 0.80 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2581775 0.79 HRH1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23401428 0.78 MEN1 (0.36) MEN1KMT2ANPC1RAB9ACYP2C19
SCHEMBL23401557 0.78 TYR (0.39) MEN1KMT2ASMN1; SMN2TLR8ALDH1A1
SCHEMBL23399682 0.78 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23398728 0.78 PTGIR (0.44) MEN1KMT2ARAB9ASMN1; SMN2TLR8

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