SCHEMBL30943239

SCHEMBL30943239

COc1cccc(C2Cc3ccc(NC(=O)OC(C)(C)C)cc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 5/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
JAK2 O60674 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL30323931 1.00 LMNA (0.48) LMNAMAPTKMT2AMEN1JAK2
SCHEMBL28622408 0.94 MAPT (0.49) LMNAMAPTKMT2AMEN1JAK2
SCHEMBL30323980 0.80 MAPT (0.47) LMNAMAPTKMT2AMEN1JAK2
SCHEMBL24042553 0.78 NAMPT (0.58) LMNAMAPTALDH1A1RAB9A
SCHEMBL29232536 0.77 ALDH1A1 (0.57) MAPTKDM4EALDH1A1
SCHEMBL23320569 0.76 LMNA (0.54) LMNACYP19A1
SCHEMBL281590 0.76 RAB9A (0.59) LMNAMAPTKMT2AALDH1A1NPC1
SCHEMBL30943258 0.74 LMNA (0.56) LMNAMAPTALDH1A1CYP19A1NPC1
SCHEMBL23320409 0.74 LMNA (0.56) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL28922327 0.74 LMNA (0.56) LMNAMAPTKMT2AMEN1KDM4E

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
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 CN disclosed