SCHEMBL22124303

SCHEMBL22124303

CC[C@H](CO)Cc1ccc(Cl)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.40
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.34
CRHR1 P34998 1/20 0.34
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.33
TRPA1 O75762 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
SCHEMBL22162357 1.00 PYCR1 (0.40) PYCR1PPARAPPARGCRHR1PSEN1
SCHEMBL22122730 0.80 PYCR1 (0.42) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL22162895 0.80 PYCR1 (0.42) PYCR1PPARAPPARGPSEN1PSEN2
SCHEMBL22124332 0.80 PYCR1 (0.42) PYCR1PPARAPPARGPSEN1PSEN2
SCHEMBL22145306 0.78 PYCR1 (0.40) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL22145313 0.76 PYCR1 (0.44) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL22122785 0.76 PYCR1 (0.44) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL30485975 0.76 PYCR1 (0.44) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL22125042 0.75 PYCR1 (0.46) PYCR1PPARAPPARGMEN1KMT2A
SCHEMBL22122732 0.75 ALOX15 (0.46) PYCR1PPARAPPARGMEN1KMT2A

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 2 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
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed