SCHEMBL31270750

SCHEMBL31270750

CC(C)(C)OC(=O)NCCCOc1ccc(C=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
ALDH1A1 P00352 3/20 0.46
AOX1 Q06278 1/20 0.46
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL31270840 0.96 CA12 (0.51) CA1CA2CA12CA9ALDH1A1
SCHEMBL18544360 0.96 CA12 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL31271052 0.96 CA12 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL24838619 0.90 ADRB2 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL18569779 0.90 ADRB2 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL25457307 0.87 CA12 (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL18544363 0.87 ALDH1A1 (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL18544318 0.86 ALDH1A1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL18544342 0.84 CA12 (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL18570051 0.84 APP (0.52) CA1CA2CA12CA9ALDH1A1

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-2024220676-A1 MRNA DEGRADERS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 WO disclosed