SCHEMBL31378281

SCHEMBL31378281

O=Cc1ccc(CC2COC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP2A6 P11509 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TYR P14679 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
SCHEMBL30957029 0.83 CYP19A1 (0.39) ALDH1A1SLC5A1SLC5A2
SCHEMBL1618364 0.82 GBA1 (0.39) ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1
SCHEMBL9951023 0.77 HDAC6 (0.43) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL9950036 0.74 CYP2A6 (0.38) ALDH1A1KDM4ECYP2A6SMN1; SMN2LMNA
SCHEMBL9950203 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ECYP2A6SMN1; SMN2LMNA
SCHEMBL23146295 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1
SCHEMBL16572190 0.74 NPC1 (0.39) CYP2A6SMN1; SMN2MAPTSLC5A1SLC5A2
SCHEMBL28886207 0.73 APP (0.46) ALDH1A1KDM4ECYP2A6SMN1; SMN2LMNA
SCHEMBL16572184 0.73 GBA1 (0.52)
SCHEMBL24622646 0.72 GRIK1 (0.35) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT

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
WO-2025038781-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS OR CHRONIC HEART FAILURE LUCY THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed