SCHEMBL30573159

SCHEMBL30573159

O=C(O)CCCn1c2ccccc2c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 1.00
FABP5 Q01469 3/20 1.00
FABP3 P05413 1/20 0.79
KDM4E B2RXH2 5/20 0.61
HDAC6 Q9UBN7 4/20 0.61
HDAC1 Q13547 3/20 0.61
CTNNB1 P35222 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL4314440 1.00 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL12951764 0.95 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL6419189 0.93 FABP4 (0.97) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL29114062 0.93 FABP4 (0.97) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL31156410 0.93 FABP4 (0.97) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL6833930 0.93 FABP4 (0.97) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL30549325 0.89 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL150033 0.89 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL27763456 0.87 FABP4 (0.96) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL1150189 0.87 FABP4 (0.75) FABP4FABP5FABP3KDM4EHDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761598-A Antiviral use of FABP4 modulating compounds 新月生物科学 2023-09-15 CN claimed
CN-119233663-A Perovskite solar cell, preparation method thereof and power utilization device 宁德时代新能源科技股份有限公司 2024-12-31 CN disclosed
CN-116761598-A Antiviral use of FABP4 modulating compounds 新月生物科学 2023-09-15 CN disclosed