SCHEMBL28958474

SCHEMBL28958474

CCCCCC(CCC)COC(=O)C(O)C(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.39
RECQL P46063 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28958330 0.87 CYP3A4 (0.51) GPR84RECQLPRSS1PRSS2PRSS3
SCHEMBL28958509 0.84 GPR84 (0.44) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL28958508 0.83 TSHR (0.46) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL28958473 0.83 TSHR (0.43) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL28958335 0.82 GPR84 (0.49) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL30198217 0.82 RECQL (0.47) GPR84RECQLPRSS1PRSS2PRSS3
SCHEMBL29924533 0.79 GPR84 (0.43) GPR84TSHRTDP1
SCHEMBL11654426 0.78 PRSS1 (0.50) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL11658392 0.78 PRSS1 (0.50) GPR84FFAR1RECQLPRSS1PRSS2
SCHEMBL28856632 0.78 GPR84 (0.46) GPR84TSHR

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-109843848-B Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2023-02-28 CN disclosed