SCHEMBL30608789

SCHEMBL30608789

CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.69
▸ CYP1A2 P05177 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3031437 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2MAPK1LMNAMEN1
SCHEMBL14215977 0.82 ALDH1A1 (0.48) ALDH1A1
SCHEMBL25938254 0.81 CYP1A2 (0.56) ALDH1A1CYP1A2MAPK1LMNAMEN1
SCHEMBL29973846 0.72 ALDH1A1 (0.47) ALDH1A1
SCHEMBL25938257 0.71 ALDH1A1 (0.44) ALDH1A1CYP1A2MAPK1LMNA
SCHEMBL14533823 0.66 CYP1A2 (0.54) ALDH1A1CYP1A2MAPK1LMNAMEN1
SCHEMBL28907163 0.63 CYP19A1 (0.34) ALDH1A1
Austricin SCHEMBL14029373 0.62 CYP1A2 (0.97) ALDH1A1CYP1A2MAPK1LMNAMEN1
Austricin SCHEMBL14190527 0.62 CYP1A2 (0.97) ALDH1A1CYP1A2MAPK1LMNAMEN1
SCHEMBL14533824 0.59 CYP1A2 (0.52) ALDH1A1CYP1A2MAPK1LMNAMEN1

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
WO-2023170340-A1 METHOD OF PRODUCING ANTIMICROBIAL EXTRACT FROM CHICORY TEKNOLOGIAN TUTKIMUSKESKUS VTT OY (FI) 2023-09-14 — — WO disclosed
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