SCHEMBL30809494

SCHEMBL30809494

Cc1n[nH]c2c(C)cc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
TPMT P51580 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TTR P02766 5/20 0.39
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
ALPL P05186 3/20 0.37
CA9 Q16790 2/20 0.37
NOTUM Q6P988 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1145053 1.00 ADORA2A (0.41) ADORA2AADORA2BTPMTMEN1LMNA
SCHEMBL4402971 0.86 ADORA2A (0.41) ADORA2AADORA2BMEN1LMNAKMT2A
SCHEMBL25367875 0.85 ADORA2A (0.41) ADORA2AADORA2BTPMTMEN1LMNA
SCHEMBL1145133 0.85 TTR (0.43) ADORA2AADORA2BTPMTMEN1LMNA
SCHEMBL1144961 0.83 MEN1 (0.39) ADORA2AADORA2BTPMTMEN1LMNA
SCHEMBL1144382 0.83 MAPK1 (0.39) TPMTDAOHCAR2TTRMAPK1
SCHEMBL1144821 0.82 CNR2 (0.49) TPMTLMNAKMT2ATTRMAPK1
SCHEMBL4402977 0.81 ADORA2A (0.38) ADORA2AADORA2BMEN1LMNAKMT2A
SCHEMBL4140051 0.81 ADORA2A (0.38) ADORA2AADORA2BLMNA
SCHEMBL31637404 0.79 TSHR (0.44) LMNATTRALPLALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562017-A1 NOVEL ACC INHIBITORS Pfizer Inc. (US) 2025-06-04 EP disclosed
CN-120019059-A Novel ACC inhibitors 辉瑞公司 2025-05-16 CN disclosed
CN-118984827-A GLP-1R modulating compounds 歌礼生物科技(杭州)有限公司 2024-11-19 CN disclosed
WO-2024023727-A1 NOVEL ACC INHIBITORS PFIZER INC. (US) 2024-02-01 WO disclosed