SCHEMBL9213636

SCHEMBL9213636

COC(=O)/C=C(\OC)c1cccc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
RRM1 P23921 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
CHEK1 O14757 1/20 0.38
PLAU P00749 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MTNR1B P49286 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
RAB9A P51151 3/20 0.36
MMP3 P08254 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL9222769 1.00 MTNR1A (0.43) MTNR1ARRM1L3MBTL1NR4A2MAPT
SCHEMBL8948874 0.89 MTNR1A (0.43) MTNR1ARRM1L3MBTL1NR4A2MAPT
SCHEMBL8948885 0.89 MTNR1A (0.43) MTNR1ARRM1L3MBTL1NR4A2MAPT
SCHEMBL8948898 0.89 MTNR1A (0.43) MTNR1ARRM1L3MBTL1NR4A2MAPT
SCHEMBL9218125 0.85 MTNR1A (0.44) MTNR1ANR4A2MAPTMEN1KMT2A
SCHEMBL9214778 0.82 NR4A2 (0.44) MTNR1ANR4A2PLAUMTNR1BPLK1
SCHEMBL1668640 0.80 NR4A2 (0.54) MTNR1AL3MBTL1NR4A2MAPTMEN1
SCHEMBL9213563 0.77 MRGPRX4 (0.42) RXFP1RAB9ANPC1
SCHEMBL9222166 0.77 MRGPRX4 (0.42) RXFP1RAB9ANPC1
SCHEMBL8948915 0.75 MTNR1A (0.45) MTNR1ARRM1L3MBTL1NR4A2MAPT

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
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed