SCHEMBL4446152

SCHEMBL4446152

COc1ccc(C(=C=O)Cc2cc(C)cc(OC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSPO P30536 1/20 0.39
IDH1 O75874 1/20 0.39
CALM1 P0DP23 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
GSK3B P49841 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
SCHEMBL15478104 0.73 CYP3A4 (0.42) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL5742710 0.73 AKR1C2 (0.57) MAPTL3MBTL1LMNATDP1KDM4E
SCHEMBL31337559 0.73 AKR1C2 (0.57) MAPTL3MBTL1LMNATDP1KDM4E
SCHEMBL17694470 0.71 PTGS1 (0.40) L3MBTL1HTTTSPO
SCHEMBL31618779 0.71 POLB (0.42) L3MBTL1SMN1; SMN2TSPOIDH1
SCHEMBL17385731 0.71 HSP90AB1 (0.55) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL290340 0.70 CES2 (0.46) MAPTHTTCES2CES1CA1
SCHEMBL28052843 0.70 CES2 (0.50) NPC1RAB9AMAPTLMNACES2
SCHEMBL4422487 0.70 NPC1 (0.56) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL11763680 0.69 HTT (0.45) L3MBTL1HTTSMN1; SMN2KDM4E

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