SCHEMBL10724564

SCHEMBL10724564

Cc1ccc(OCCOC(=O)c2c(C)cc(O)cc2O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ACHE P22303 2/20 0.49
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL10336727 0.84 CYP3A4 (0.60) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL10336666 0.81 CYP3A4 (0.56) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL1129165 0.80 CYP3A4 (0.58) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL8067289 0.80 CYP3A4 (0.55) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL10595809 0.79 CYP3A4 (0.60) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL1129671 0.78 SMN1; SMN2 (0.52) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL10722726 0.77 CYP3A4 (0.81) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL10610261 0.75 CYP3A4 (0.67) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL10336669 0.75 CYP3A4 (0.55) CYP3A4SMN1; SMN2TDP1ACHENR1H2
SCHEMBL8053277 0.75 CYP3A4 (0.61) CYP3A4SMN1; SMN2TDP1ACHENR1H2

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-4682193-A HEAT SENSITIVE, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1987-07-21 — — US disclosed
Send feedback