SCHEMBL30940355

SCHEMBL30940355

COc1ccc(/C=C/c2ccc(O)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.79
PTGS1 P23219 2/20 0.79
PTGS2 P35354 2/20 0.79
MAPT P10636 3/20 0.74
APP P05067 3/20 0.74
CYP1B1 Q16678 6/20 0.70
CYP1A2 P05177 2/20 0.70
TUBB4A P04350 1/20 0.70
TUBB P07437 1/20 0.70
TUBA3C P0DPH7 1/20 0.70
TUBA1B P68363 1/20 0.70
TUBA4A P68366 1/20 0.70
TUBB4B P68371 1/20 0.70
TUBB3 Q13509 1/20 0.70
TUBB2A Q13885 1/20 0.70
TUBB8 Q3ZCM7 1/20 0.70
TUBA3E Q6PEY2 1/20 0.70
TUBA1A Q71U36 1/20 0.70
TUBA1C Q9BQE3 1/20 0.70
TUBB6 Q9BUF5 1/20 0.70

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
SCHEMBL1815698 1.00 CYP1A1 (0.79) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL1815699 1.00 CYP1A1 (0.79) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL9173377 0.90 CYP1A1 (0.84) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL9173364 0.90 CYP1A1 (0.84) CYP1A1PTGS1PTGS2MAPTAPP
Rhapontigenin SCHEMBL10307426 0.89 CYP1A1 (1.00) CYP1A1PTGS1PTGS2MAPTAPP
Rhapontigenin SCHEMBL19433130 0.89 CYP1A1 (1.00) CYP1A1PTGS1PTGS2MAPTAPP
Rhapontigenin SCHEMBL31028358 0.89 CYP1A1 (1.00) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL9431599 0.88 CYP1A1 (0.80) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL9586847 0.88 CYP1A1 (0.80) CYP1A1PTGS1PTGS2MAPTAPP
SCHEMBL5315843 0.87 TTR (0.80) PTGS2MAPTAPPCYP1A2NFE2L2

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-3280402-B1 TOLAN COMPOUNDS FOR PROMOTING WOUND HEALING BIOMENDICS LLC (US) 2024-06-05 EP disclosed