SCHEMBL31316832

SCHEMBL31316832

O=C1C[C@H](CO)Oc2c(Cl)cccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.40
PIM1 P11309 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA2 P00918 1/20 0.36
ABCB1 P08183 1/20 0.36
GRM2 Q14416 1/20 0.36
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GUSB P08236 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL31316737 1.00 SIRT2 (0.40) SIRT2PIM1TRPM5SIGMAR1CA2
SCHEMBL31316656 0.81 SIRT2 (0.41) SIRT2SIGMAR1CA2ABCB1SSTR2
SCHEMBL15758209 0.78 AQP1 (0.39) TRPM5SIGMAR1CA2KDM4EALDH1A1
SCHEMBL8210999 0.75 SSTR2 (0.40) SIRT2PIM1SIGMAR1CA2ABCB1
SCHEMBL4226068 0.75 AQP1 (0.49) TRPM5SIGMAR1GRM2KDM4EALDH1A1
SCHEMBL6746035 0.74 MAOB (0.56) SIGMAR1ABCB1KDM4E
SCHEMBL30997908 0.74 MAOB (0.56) SIGMAR1ABCB1KDM4E
SCHEMBL9781206 0.71 CYP3A4 (0.40) GRM2
SCHEMBL4225662 0.70 AQP1 (0.44) SIRT2TRPM5KDM4EALDH1A1HPGD
SCHEMBL4230244 0.70 AQP1 (0.42) TRPM5SIGMAR1GRM2CNR2

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed