SCHEMBL30876320

SCHEMBL30876320

COc1ccc(/C=C/c2cc(O)ccc2OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.63
CYP19A1 P11511 1/20 0.63
CYP1A1 P04798 7/20 0.62
CYP1B1 Q16678 7/20 0.62
PTGS2 P35354 3/20 0.62
KDM4E B2RXH2 2/20 0.62
PTGS1 P23219 2/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.62
CYP1A2 P05177 3/20 0.61
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60

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
SCHEMBL5501588 0.86 NFE2L2 (0.81) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL5501583 0.86 NFE2L2 (0.81) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL30876325 0.85 NFE2L2 (0.64) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL19583363 0.83 CYP1A1 (0.79) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL19583362 0.83 CYP1A1 (0.79) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL12091584 0.82 CYP1A1 (0.69) NFE2L2CYP1A1CYP1B1PTGS2KDM4E
SCHEMBL3753811 0.81 CYP1A1 (0.77) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL13443550 0.81 CYP1A1 (0.77) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2
SCHEMBL1976945 0.81 CYP1A2 (0.81) NFE2L2CYP19A1CYP1A1CYP1B1KDM4E
SCHEMBL9856474 0.81 CYP1A1 (0.62) NFE2L2CYP19A1CYP1A1CYP1B1PTGS2

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
CN-111728962-B Resveratrol derivative and medical application thereof in resisting fibrosis 绍兴君科臻元医药科技有限公司 2024-04-30 CN disclosed