SCHEMBL31450329

SCHEMBL31450329

CC(C)Cc1cccc2c1ccn2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
PTGER1 P34995 3/20 0.38
NTSR1 P30989 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
CNR2 P34972 1/20 0.34
PTGER3 P43115 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CTNNB1 P35222 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL1692172 0.86 TSHR (0.50) GABRA1GABRB2NOTUMALDH1A1MAPT
SCHEMBL378971 0.81 NOTUM (0.42) NOTUMALDH1A1MAPTKDM4E
SCHEMBL26673425 0.80 ALDH1A1 (0.43) NOTUMALDH1A1MAPTRECQLPTGS2
SCHEMBL26673429 0.80 ALDH1A1 (0.43) NOTUMALDH1A1MAPTRECQLPTGS2
SCHEMBL3169084 0.80 NOTUM (0.45) NOTUMALDH1A1MAPTKDM4E
SCHEMBL27716127 0.78 OXER1 (0.47) NOTUMCNR2PPARGPPARA
SCHEMBL31450403 0.76 OXER1 (0.44) GABRA1GABRB2NOTUMNTSR1GABRG2
SCHEMBL31450147 0.76 GABRA1 (0.43) GABRA1GABRB2PTGER1GABRG2GABRB3
SCHEMBL3165900 0.76 POLB (0.43) NOTUM
SCHEMBL3176750 0.75 HTR6 (0.39) NOTUMKDM4E

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