SCHEMBL28958333

SCHEMBL28958333

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GPR84 Q9NQS5 7/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
TLR4 O00206 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
SCHEMBL2036656 0.95 RECQL (0.51) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL11655596 0.95 RECQL (0.51) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL6557496 0.94 RECQL (0.54) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL28958335 0.88 GPR84 (0.49) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL475612 0.86 RECQL (0.67) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL31647797 0.86 CYP3A4 (0.51) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL22501885 0.85 TSHR (0.54) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL30557846 0.84 RECQL (0.65) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL14972828 0.84 TSHR (0.50) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL15535463 0.84 LMNA (0.46) RECQLTSHRCYP3A4ATMTDP1

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