SCHEMBL27036749

SCHEMBL27036749

CCOC(=O)CCc1c(C(=O)OC)n[nH]c1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 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
SCHEMBL27129316 0.92 CYP1A2 (0.52) MAPK1HPGDKDM4CSMN1; SMN2NPSR1
SCHEMBL31297128 0.81 CYP1A2 (0.46) MAPK1HPGDSMN1; SMN2NPSR1TSHR
SCHEMBL23754134 0.78 PDE4D (0.50) MAPK1HPGDSMN1; SMN2NPSR1TSHR
SCHEMBL8803869 0.78 KDM4C (0.54) MAPK1HPGDKDM4CSMN1; SMN2NPSR1
SCHEMBL23112442 0.77 KDM4C (0.49) MAPK1HPGDKDM4CSMN1; SMN2TSHR
SCHEMBL28548519 0.77 KDM4C (0.49) MAPK1HPGDKDM4CSMN1; SMN2GAA
SCHEMBL23112395 0.74 KDM4E (0.48) MAPK1HPGDSMN1; SMN2NPSR1CYP1A2
SCHEMBL23112514 0.73 KDM4C (0.61) MAPK1HPGDKDM4CSMN1; SMN2NPSR1
SCHEMBL508530 0.71 PDE4D (0.53) MAPK1HPGDSMN1; SMN2TSHRMEN1
SCHEMBL29603884 0.71 KDM4C (0.49) MAPK1HPGDKDM4CNPSR1TSHR

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
CN-119233974-A Indolone derivative and application thereof 康百达(四川)生物医药科技有限公司 2024-12-31 CN disclosed
WO-2024017372-A1 INDOLONE DERIVATIVE AND USE THEREOF 成都百裕制药股份有限公司 2024-01-25 WO disclosed