SCHEMBL9626996

SCHEMBL9626996

CC1(C)Oc2ccc3[nH]c(=O)ccc3c2CC1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ PDE3B Q13370 6/20 0.34
▸ PDE3A Q14432 6/20 0.34
▸ CTSV O60911 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ AR P10275 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL9628439 0.80 L3MBTL1 (0.49) KDM4ECYP3A4HPGDHSD17B10ALDH1A1
SCHEMBL9626684 0.75 PDE4D (0.41) HPGDMAPTPDE3BPDE3AOPRM1
SCHEMBL9626626 0.75 PDE3B (0.33) KDM4EHSD17B10PDE3BPDE3A
SCHEMBL9096470 0.74 HPGD (0.50) KDM4EHPGDALDH1A1MAPTPDE3B
SCHEMBL15444379 0.74 KDM4E (0.65) KDM4ECYP3A4HPGDHSD17B10ALDH1A1
SCHEMBL9096832 0.71 PDE3B (0.38) KDM4EHPGDALDH1A1PDE3BPDE3A
SCHEMBL9626653 0.69 — —
SCHEMBL9095629 0.69 PDE3B (0.34) HPGDALDH1A1MAPTPDE3BPDE3A
SCHEMBL9245586 0.67 HTR1A (0.33) KDM4EHPGDHSD17B10ALDH1A1MAPT
Lomatin SCHEMBL6273711 0.67 KDM4E (1.00) KDM4ECYP3A4HPGDHSD17B10ALDH1A1

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
US-5093339-A Anticoagulant, hypotensive, antiangina, antiasthma, antiulcer, anti-platelet activating factor KODAMA KABUSHIKI KAISHA (JP) 1992-03-03 — — US disclosed
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