SCHEMBL30005115

SCHEMBL30005115

CC(=O)C=C1C(=O)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
IDO1 P14902 2/20 1.00
HTT P42858 2/20 1.00
LMNA P02545 1/20 1.00
NPSR1 Q6W5P4 2/20 0.75
KDM4E B2RXH2 1/20 0.75
PKM P14618 1/20 0.75
MAPK1 P28482 1/20 0.75
EPHX2 P34913 1/20 0.64
TDO2 P48775 1/20 0.63
CCNB2 O95067 1/20 0.60
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL9926479 1.00 TGM2 (1.00) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL1925040 0.86 ALDH1A1 (0.76) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL9926498 0.86 ALDH1A1 (0.76) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL3245039 0.84 MAPT (0.77) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL30952119 0.84 MAPT (0.77) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL3245042 0.84 MAPT (0.77) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL1450996 0.82 ALDH1A1 (0.69) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL1450994 0.82 ALDH1A1 (0.69) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL28985650 0.82 ALDH1A1 (0.69) TGM2ALDH1A1MAPTSMN1; SMN2IDO1
SCHEMBL15033481 0.82 ALDH1A1 (0.69) TGM2ALDH1A1MAPTSMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012771-A1 ELECTRIC DIVING SHOES CAPABLE OF STORING THE DIVER'S SURROUNDING ENVIRONMENT DATA ABEDI ABBAS (IR) 2023-02-09 WO claimed
CN-118503187-A PXIe bus integrated reconstruction system 哈尔滨工业大学 2024-08-16 CN disclosed
CN-111291524-B Structure and method for realizing crossing clock domain of AXI bus 苏州浪潮智能科技有限公司 2022-10-18 CN disclosed