SCHEMBL31125331

SCHEMBL31125331

CCCCCCCCCCCCCCCOC(=O)c1cc(O)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
ESR1 P03372 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
NAAA Q02083 1/20 0.57
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL31125341 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125332 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125342 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125339 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL495935 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL13422476 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL17107306 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL10581365 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125314 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125325 1.00 CA12 (0.67) CA12CA1CA2CA7CA9

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-2024204339-A1 POSITIVE PHOTOSENSITIVE PIGMENT COMPOSITION, CURED PRODUCT, AND ORGANIC EL DISPLAY DEVICE 東レ株式会社 2024-10-03 WO disclosed