SCHEMBL9828241

SCHEMBL9828241

C=CCOc1c(I)cc(C=O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.43
FDPS P14324 1/20 0.42
TSHR P16473 1/20 0.40

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
SCHEMBL7457596 0.89 HSD17B10 (0.54) HSD17B10ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL8022232 0.83 ALDH1A1 (0.49) HSD17B10ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL4542517 0.82 ALDH1A1 (0.63) HSD17B10ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL29111421 0.82 ALDH1A1 (0.65) HSD17B10ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL2680807 0.82 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL2335896 0.81 ALDH1A1 (0.50) HSD17B10ALDH1A1MAPTCYP1A2TDP1
SCHEMBL30426642 0.81 ALDH1A1 (0.50) HSD17B10ALDH1A1MAPTCYP1A2TDP1
SCHEMBL8110374 0.81 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7122419 0.81 TUBB1 (0.49) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL30287280 0.80 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199324-B1 NEW 2,5-DIARYL TETRYHYDROFURANS AND ANALOGS THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1991-10-02 EP disclosed
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 US disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed