SCHEMBL30852001

SCHEMBL30852001

OCc1nccnc1OCC(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL31068654 0.74 ACACB (0.32) HCRTR1HCRTR2
SCHEMBL11437617 0.74 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPK1
SCHEMBL30852201 0.73 ALDH1A1 (0.34) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL29606513 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL15633445 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL18952506 0.72 PDE8A (0.31)
SCHEMBL30852237 0.72 EDNRA (0.33)
SCHEMBL5903240 0.68 ALDH1A1 (0.52) ALDH1A1L3MBTL1
SCHEMBL18970935 0.65
SCHEMBL15669873 0.65 PIK3R1 (0.34)

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