SCHEMBL28958335

SCHEMBL28958335

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.49
FFAR1 O14842 2/20 0.43
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL28014163 0.95 GPR84 (0.54) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL28958333 0.88 RECQL (0.50) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL1389534 0.86 CYP3A4 (0.57) GPR84TSHRCYP3A4ATMTDP1
SCHEMBL28264311 0.84 CYP3A4 (0.55) GPR84TSHRCYP3A4ATMTDP1
SCHEMBL15535463 0.84 LMNA (0.46) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL2036656 0.83 RECQL (0.51) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL11655596 0.83 RECQL (0.51) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL28958474 0.82 GPR84 (0.44) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL1695574 0.82 GPR84 (0.55) GPR84FFAR1TSHRCYP3A4ATM
SCHEMBL28958508 0.82 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