SCHEMBL15501074

SCHEMBL15501074

COc1cc(-c2cc(=O)oc3cc(O)cc(C)c23)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.59
▸ HPGD P15428 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ ABCB1 P08183 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3783693 0.88 ABCB1 (0.64) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL13016736 0.86 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL27823419 0.81 ALDH1A1 (0.65) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11095245 0.78 ALDH1A1 (0.69) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30231625 0.77 MAP1LC3B (0.74) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30231429 0.75 MAP1LC3B (0.55) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11215292 0.74 ALDH1A1 (0.79) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL25218056 0.73 ALDH1A1 (1.00) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29367989 0.72 MAPT (0.60) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30228405 0.71 CA9 (0.56) ALDH1A1HPGDMAPTHSD17B10CYP3A4

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
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
Send feedback