SCHEMBL29953205

SCHEMBL29953205

O=CC1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SLC8B1 Q6J4K2 1/20 0.43
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 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
SCHEMBL29955806 0.86 CACNB4 (0.41) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL29952427 0.79 EPHX2 (0.40) PGRMAPTCYP1A2CYP2C19MEN1
SCHEMBL29954649 0.79 TP53 (0.46) MAPTTP53TGM2CES1LMNA
SCHEMBL29951858 0.76 MAOA (0.48) MAPTTP53CDYL2CDYLLMNA
SCHEMBL29956445 0.76 SMN1; SMN2 (0.40) PGRMAPTTP53LMNAMEN1
SCHEMBL29955187 0.76 PIM1 (0.39) PGRMAPTTP53LMNAMEN1
SCHEMBL24112733 0.75 PGR (0.69) PGRMAPTTP53CYP1A2CYP2C9
SCHEMBL948578 0.75 PGR (0.69) PGRMAPTTP53CYP1A2CYP2C9
SCHEMBL1101964 0.74 IDO1 (0.47) MAPTTP53ALOX15IDO1TDO2
SCHEMBL29951005 0.74 IDO1 (0.47) MAPTTP53ALOX15IDO1TDO2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed