SCHEMBL30852201

SCHEMBL30852201

OCc1nccnc1OCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.33
ADORA2A P29274 1/20 0.33
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
LRRK2 Q5S007 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL27314157 0.81 ADORA2A (0.35) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL30851767 0.81 ADORA2A (0.35) ALDH1A1L3MBTL1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL16446694 0.79 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL11437617 0.74 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL31068646 0.74 MAPT (0.41) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL30852001 0.73 ALDH1A1 (0.34) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL30851832 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL29606513 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15633445 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28080959 0.72 SSTR4 (0.40) ALDH1A1L3MBTL1MAPTKDM4EMEN1

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-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed