SCHEMBL22124308

SCHEMBL22124308

CCOC(=O)CCc1ccc(Cl)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL15740348 0.88 CYP4F2 (0.50) CYP4F2CYP4A11GAAMEN1HPGD
SCHEMBL15287024 0.85 MAPT (0.48) GAAMEN1KMT2AKDM4ECYP1A2
SCHEMBL31461224 0.85 GAA (0.52) GAAMEN1HPGDKMT2AALDH1A1
SCHEMBL901696 0.85 CYP4F2 (0.53) CYP4F2CYP4A11GAAMEN1HPGD
SCHEMBL18524379 0.85 GAA (0.52) GAAMEN1HPGDKMT2AALDH1A1
SCHEMBL27176902 0.84 CYP4F2 (0.49) CYP4F2CYP4A11GAAMEN1HPGD
SCHEMBL432804 0.82 CYP4F2 (0.50) CYP4F2CYP4A11GAAHPGDALDH1A1
SCHEMBL8361248 0.82 CYP4F2 (0.50) CYP4F2CYP4A11GAAMEN1HPGD
SCHEMBL16619628 0.82 CYP4F2 (0.50) CYP4F2CYP4A11GAAHPGDALDH1A1
SCHEMBL27176866 0.82 CYP4F2 (0.66) CYP4F2CYP4A11GAAMEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
CN-113474348-A Substituted oxopyridine derivatives 拜耳公司 2021-10-01 CN disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed