SCHEMBL29688804

SCHEMBL29688804

CCOc1cc(Br)ccc1C(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
AR P10275 1/20 0.42
LMNA P02545 4/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL20135145 1.00 KDM4E (0.49) KDM4EHPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL17973677 0.88 HPGD (0.47) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20505374 0.82 TSHR (0.61) KDM4EHPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL29688832 0.82 ALDH1A1 (0.47) KDM4EHPGDSMN1; SMN2HIF1AHSD17B10
SCHEMBL3484524 0.82 ALDH1A1 (0.47) KDM4EHPGDSMN1; SMN2HIF1AHSD17B10
SCHEMBL4584625 0.82 TSHR (0.60) KDM4EHPGDTSHRHSD17B10CYP3A4
SCHEMBL7345060 0.81 KDM4E (0.51) KDM4EHPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL17375390 0.81 MKNK1 (0.53) KDM4EHPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL28591655 0.80 NPSR1 (0.39) KDM4EHPGDSMN1; SMN2NPSR1KMT2A
SCHEMBL20135292 0.80 TSHR (0.59) KDM4ESMN1; SMN2TSHRLMNAPOLB

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-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed