SCHEMBL8207159

SCHEMBL8207159

COc1ccc(/C=C/C(=O)C23CC4CCCC(C2)C(C4)C3)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
TOP2A P11388 3/20 0.45
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL4728511 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL8267947 0.84 KMT2A (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL8266980 0.82 MEN1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL8266559 0.82 JUN (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL8215665 0.76 RXRA (0.36) ALDH1A1MAPTL3MBTL1
SCHEMBL17447204 0.72 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL12723726 0.72 KDM4E (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1TOP2A
SCHEMBL8266779 0.71 MAOB (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL8219508 0.69 LMNA (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL5509239 0.68 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1POLB

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
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed