SCHEMBL30003035

SCHEMBL30003035

CCCCC(=O)Oc1cc(CC)c(OC(=O)CCCC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
ALOX15 P16050 2/20 0.45
HTT P42858 1/20 0.41
POLM Q9NP87 1/20 0.40
POLK Q9UBT6 1/20 0.40
POLL Q9UGP5 1/20 0.40
POLH Q9Y253 1/20 0.40
AKR1B1 P15121 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TOP2A P11388 1/20 0.37
LMNA P02545 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL23271696 1.00 KMT2A (0.52) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271806 0.96 ALOX15 (0.50) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL30004209 0.96 ALOX15 (0.50) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271956 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271736 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271949 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271914 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271847 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL23271818 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL30004072 0.95 ALOX15 (0.49) KMT2AKDM4EMEN1RECQLALOX15

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed