SCHEMBL29952345

SCHEMBL29952345

CCOc1ccc(B(O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
LTA4H P09960 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ESR2 Q92731 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL3316169 1.00 NQO1 (0.48) NQO1ALDH1A1KDM4EHPGDLTA4H
SCHEMBL539019 0.85 THRA (0.45) ALDH1A1LTA4HTSHRMEN1NPC1
SCHEMBL29954557 0.85 THRA (0.45) ALDH1A1LTA4HTSHRMEN1NPC1
SCHEMBL29956792 0.85 PTGS1 (0.46) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL4048727 0.85 PTGS1 (0.46) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL29953230 0.81 HPGD (0.37) HPGDNPC1KMT2AMAPTSMN1; SMN2
SCHEMBL16335197 0.81 HPGD (0.37) HPGDNPC1KMT2AMAPTSMN1; SMN2
SCHEMBL29952558 0.81 KDM4E (0.53) NQO1ALDH1A1KDM4EHPGDLTA4H
SCHEMBL3793494 0.81 KDM4E (0.53) NQO1ALDH1A1KDM4EHPGDLTA4H
SCHEMBL29952923 0.80 NQO1 (0.46) NQO1ALDH1A1KDM4EHPGDLTA4H

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-4660185-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
WO-2024159288-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed