SCHEMBL29960448

SCHEMBL29960448

CCOC(=O)C1OCCc2cc(Cl)cc(Br)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 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
SCHEMBL29960462 0.82 TP53 (0.40) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL29960732 0.80 GPR17 (0.37) KDM4EMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL29960232 0.80 TSHR (0.32) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL29960381 0.76 ALDH1A1 (0.32) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL29960986 0.75 LMNA (0.39) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL15919083 0.73 RAB9A (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL24543296 0.72 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL20480193 0.71 CYP1A2 (0.40) KDM4EMEN1KMT2AALDH1A1CA1
SCHEMBL20482324 0.71 CYP1A2 (0.40) KDM4EMEN1KMT2AALDH1A1CA1
SCHEMBL20480571 0.71 CYP1A2 (0.40) KDM4EMEN1KMT2AALDH1A1CA1

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed