SCHEMBL23401285

SCHEMBL23401285

CCCCn1cc(O)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.49
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 1/20 0.45
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 1/20 0.44
NR1H3 Q13133 1/20 0.43
ESR1 P03372 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.39
CDK2 P24941 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL23402101 0.90 PTGIR (0.44) PTGIRTSHRMEN1KMT2ACYP1A2
SCHEMBL23400930 0.86 ALDH1A1 (0.46) PTGIRMEN1KMT2ACYP1A2MAPT
SCHEMBL23399888 0.84 TLR8 (0.44) TSHRMEN1KMT2ATLR8NR1H3
SCHEMBL23400421 0.83 RECQL (0.41) PTGIRTSHRMEN1KMT2AMAPT
SCHEMBL23399083 0.81 TLR8 (0.41) PTGIRTSHRMAPTTLR8TLR7
SCHEMBL23403702 0.79 PTGIR (0.47) PTGIRTSHRMEN1KMT2ACYP1A2
SCHEMBL8765676 0.79 PTGIR (0.65) PTGIRMEN1KMT2ACYP1A2TLR8
SCHEMBL4300356 0.79 BTK (0.50) PTGIRMEN1KMT2ACYP1A2MAPT
SCHEMBL23398902 0.76 S1PR1 (0.45) PTGIRMEN1KMT2AALDH1A1RAB9A
SCHEMBL23399470 0.76 ALDH1A1 (0.48) MEN1KMT2ACYP1A2MAPTTLR8

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