SCHEMBL28958508

SCHEMBL28958508

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
RECQL P46063 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL11658392 0.94 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL11654426 0.94 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL28958509 0.93 GPR84 (0.44) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL4967493 0.87 TSHR (0.45) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL14972843 0.85 TSHR (0.46) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL3781285 0.85 TSHR (0.49) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL30198217 0.85 RECQL (0.47) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL15535463 0.84 LMNA (0.46) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL21052392 0.84 PRSS1 (0.48) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL27719015 0.84 PRSS1 (0.48) TSHRCYP3A4ATMTDP1PRSS1

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