SCHEMBL31450403

SCHEMBL31450403

CC(C)Cc1cccc2ccn(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CMA1 P23946 1/20 0.36
NOTUM Q6P988 1/20 0.36
NTSR1 P30989 1/20 0.35
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTNNB1 P35222 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1691925 0.86 TSHR (0.50) OXER1GABRA1GABRB2CMA1NOTUM
SCHEMBL27550174 0.84 OXER1 (0.51) OXER1GABRA1GABRB2CMA1NOTUM
SCHEMBL4048565 0.83 OXER1 (0.44) OXER1CMA1NOTUMTSHRRAB9A
SCHEMBL31450569 0.79 LMNA (0.34) OXER1GABRA1GABRB2TSHRHTR2A
SCHEMBL31450329 0.76 GABRA1 (0.43) GABRA1GABRB2NOTUMNTSR1CTNNB1
SCHEMBL4048895 0.74 NOTUM (0.42) OXER1NOTUMTSHRRAB9AL3MBTL1
SCHEMBL31450290 0.74 OXER1 (0.45) OXER1CMA1NOTUMTSHRRAB9A
SCHEMBL18970239 0.73 GABRA1 (0.43) GABRA1GABRB2NTSR1HTR2ACYP1A2
SCHEMBL30405639 0.72 RAB9A (0.41) OXER1NOTUMTSHRRAB9AL3MBTL1
SCHEMBL1692283 0.72 APP (0.47) GABRA1GABRB2NOTUMHTR2A

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
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP claimed