SCHEMBL9538208

SCHEMBL9538208

COc1ccc(-c2c3c(c(O)c4ccoc24)COC3=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
TOP2A P11388 1/20 0.48
CYP19A1 P11511 3/20 0.46
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ABCG2 Q9UNQ0 2/20 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
SCHEMBL9536434 0.88 TOP2A (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15920967 0.85 KDM4E (0.77) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17280352 0.82 KDM4E (0.69) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4096679 0.81 KDM4E (0.85) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10404849 0.79 KDM4E (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15932525 0.75 KDM4E (0.65) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15920662 0.74 MAPT (0.72) KDM4EALDH1A1MAPTMEN1KMT2A
Cilinaphthalide B SCHEMBL15920690 0.74 MAPT (0.63) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15920749 0.74 ALDH1A1 (0.71) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15920805 0.74 KDM4E (0.71) KDM4EALDH1A1MAPTMEN1KMT2A

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-0386778-B1 BIPHENYL DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 1993-07-28 EP disclosed
US-5169861-A Therapeutic or prophylactic agent for hepatic diseases TANABE SEIYAKU CO., LTD. (JP) 1992-12-08 US disclosed
US-5066669-A Hepatitis, liver disorders TANABE SEIYAKU CO., LTD. (JP) 1991-11-19 US disclosed
EP-0386778-A1 Biphenyl derivatives TANABE SEIYAKU CO., LTD. (JP) 1990-09-12 EP disclosed