SCHEMBL29956472

SCHEMBL29956472

CC(C)(C)Sc1cccc(B(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.45
MGLL Q99685 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL27195038 1.00 ENPP2 (0.45) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL17196246 0.81 MGLL (0.53) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL31351861 0.79 SLC6A4 (0.42) MGLLKDM4E
SCHEMBL133330 0.78 ENPP2 (0.50) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL22584701 0.75 CA2 (0.46) ENPP2MGLLKDM4ELPLLIPG
SCHEMBL29955817 0.75 ENPP2 (0.40) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL3290605 0.74 ENPP2 (0.40) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL10294034 0.74 ACHE (0.43) ALDH1A1
SCHEMBL6577199 0.74 ALDH1A1 (0.46) ALDH1A1CA5ACA7CA14CA5B
SCHEMBL23912437 0.73 ENPP2 (0.45) ENPP2MGLLKDM4EALDH1A1LPL

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-4602046-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE Masarykova Univerzita (CZ) 2025-08-20 EP disclosed
WO-2024078649-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE MASARYKOVA UNIVERZITA (CZ) 2024-04-18 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