SCHEMBL9118529

SCHEMBL9118529

CCCCC(CC)CC(CC(=O)O)C(=O)OS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 5/20 0.37
CA1 P00915 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GPR84 Q9NQS5 4/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL7767557 0.84 RECQL (0.61) RECQLCYP3A4TSHRATMTDP1
SCHEMBL566264 0.81 CYP3A4 (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL3256653 0.80 GPR84 (0.49) CA2GPR84
SCHEMBL27732424 0.79 CYP3A4 (0.41) RECQLCYP3A4TSHRATMTDP1
SCHEMBL592984 0.79 CA2 (0.55) CYP3A4TSHRATMTDP1CA2
SCHEMBL11041786 0.78 MMP2 (0.34) RECQLCA2CA1MAPK1
SCHEMBL5329390 0.78 GPR84 (0.47) CA2GPR84
SCHEMBL5663330 0.77 CA2 (0.53) CYP3A4TSHRATMTDP1CA2
SCHEMBL30586668 0.77 CA2 (0.53) CYP3A4TSHRATMTDP1CA2
SCHEMBL28976310 0.76 TSHR (0.51) CYP3A4TSHRATMTDP1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839772-A Treated backing and coated abrasive article including the same 3M创新有限公司 2021-05-25 CN disclosed
CN-111886216-A Modified aluminum nitride particles and method for preparing same 3M创新有限公司 2020-11-03 CN disclosed
WO-1995033807-A1 WATER-IN-OIL MICROEMULSION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1995-12-14 WO disclosed