SCHEMBL28210985

SCHEMBL28210985

COc1cccc(OC)c1C(=O)c1ccccc1[O]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HTT P42858 2/20 0.46
CTSD P07339 1/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
STAT3 P40763 1/20 0.44
NPC1 O15118 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL28516342 0.85 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.80 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL28315313 0.79 KMT2A (0.53) CA12CA1CA2CA7CA9
SCHEMBL23361672 0.77 CA1 (0.52) CA12CA1CA2CA7CA9
Phosphine SCHEMBL22468662 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7061561 0.77 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL9467809 0.77 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1805910 0.77 CA12 (0.80) CA12CA1CA2CA7CA9
SCHEMBL8401099 0.77 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL30537361 0.77 CA12 (0.56) 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
CN-103492516-B Adhesive, adhesive phase and bonding sheet 日东电工株式会社 2018-04-27 CN disclosed