SCHEMBL4453886

SCHEMBL4453886

COc1ccc(C2Cc3cc(OC)cc(C)c3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAP2K3 P46734 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 2/20 0.38
ADRA1A P35348 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL228245 0.83 ALOX12 (0.53) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9187057 0.76 DRD1 (0.48) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL226782 0.74 DRD2 (0.40) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL224561 0.71 ALOX12 (0.47) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4361668 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMAOBKDM1A
SCHEMBL4429729 0.69 MAP2K3 (0.56) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11959229 0.69 ALDH1A1 (0.51) ALOX15ALOX12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL428339 0.69 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL12769106 0.68 DRD2 (0.45) ALDH1A1MAOBKDM1AMAOA
SCHEMBL10815794 0.68 CYP19A1 (0.66) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1

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-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed