SCHEMBL28958509

SCHEMBL28958509

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.44
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
RECQL P46063 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28958508 0.93 TSHR (0.46) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL11654426 0.88 PRSS1 (0.50) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL11658392 0.88 PRSS1 (0.50) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL1232706 0.85 CYP3A4 (0.58) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL28958474 0.84 GPR84 (0.44) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL4967493 0.81 TSHR (0.45) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL20815546 0.81 TSHR (0.47) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL28958473 0.81 TSHR (0.43) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL21052308 0.81 ACE2 (0.53) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL14972843 0.80 TSHR (0.46) GPR84FFAR1TSHRCYP3A4ATM

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