SCHEMBL30159752

SCHEMBL30159752

Nc1cccc(C(=O)O)c1OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
CXCR5 P32302 4/20 0.42
PARP10 Q53GL7 1/20 0.41
G6PD P11413 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL3306602 0.81 CXCR5 (0.59) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL20563741 0.81 ALB (0.46) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL12760784 0.78 ALDH1A1 (0.43) CXCR5G6PDCASP7CASP6PDE4A
SCHEMBL5791812 0.77 ALB (0.45) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL3465394 0.77 CXCR5 (0.55) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL30159711 0.76 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL10590612 0.76 PTGDR2 (0.43) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL29956893 0.75 CA1 (0.39) CXCR5KDM4EALDH1A1HSD17B10POLB
SCHEMBL1489523 0.74 MMP2 (0.57) MMP2G6PDCASP7CASP6KDM4E
SCHEMBL3309536 0.74 CXCR5 (0.52) CXCR5PDE4APDE4BPDE4CPDE4D

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
EP-4077309-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2022-10-26 EP disclosed