SCHEMBL8303709

SCHEMBL8303709

OC(COCc1ccccc1)CC1CO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AGER Q15109 1/20 0.43

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
SCHEMBL31243296 1.00 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL3789593 0.81 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.79 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL10618787 0.78 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL2110246 0.78 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL10618784 0.78 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL11047634 0.78 TDP1 (0.56) TSHRHTTKMT2AKDM4EMAPT
SCHEMBL8116441 0.77 CA1 (0.55) CA1CA2CA7CA9MAPK1
SCHEMBL8116438 0.77 CA1 (0.55) CA1CA2CA7CA9MAPK1
SCHEMBL11336672 0.77 HTT (0.40) CA1CA2CA7CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
US-5700817-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD. (KR) 1997-12-23 US disclosed
US-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed