SCHEMBL31473116

SCHEMBL31473116

COc1cc(O)ccc1CCC(=O)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.69
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B3 P37058 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7197296 1.00 F2 (0.69) F2MEN1KMT2AHSD17B3NPC1
SCHEMBL29367779 0.91 F2 (0.60) F2NPC1RAB9A
SCHEMBL7187176 0.91 F2 (0.60) F2NPC1RAB9A
SCHEMBL7198317 0.91 F2 (0.63) F2MEN1KMT2ANPC1RAB9A
Methyl Alcohol SCHEMBL28295371 0.90 F2 (0.58) F2NPC1RAB9A
SCHEMBL7194539 0.83 MEN1 (0.55) F2MEN1KMT2AHSD17B3NPC1
SCHEMBL4841064 0.83 POLB (0.62) F2MEN1KMT2A
SCHEMBL4316064 0.82 POLB (0.70) F2NPC1RAB9A
SCHEMBL31237171 0.82 POLB (0.70) F2NPC1RAB9A
SCHEMBL435484 0.81 F2 (0.49) F2MEN1KMT2A

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
CN-119386005-A Use of compounds for the production of a medicament for the treatment and/or prophylaxis of diseases which are associated with inhibition of PDE2 activity 常州大学 2025-02-07 CN disclosed