SCHEMBL7091160

SCHEMBL7091160

O=C(O)c1cccc(C2=Cc3ccccc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
TDP2 O95551 1/20 0.43
SRD5A2 P31213 1/20 0.43
FOLH1 Q04609 1/20 0.42
KEAP1 Q14145 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7094505 0.83 MAOA (0.50) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL25568036 0.81 SRD5A2 (0.49) KMOCYP11B1CYP11B2SRD5A2NPC1
SCHEMBL6285178 0.80 CYP11B1 (0.56) KMOCYP11B1CYP11B2MAOAMAOB
SCHEMBL319265 0.78 CYP11B2 (0.65) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL31608568 0.78 CYP11B2 (0.65) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL31666281 0.76 CYP11B2 (0.62) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL8058170 0.75 CYP11B2 (0.61) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL6285180 0.75 CYP11B2 (0.61) CYP11B1CYP11B2MAOAMAOBIP6K1
SCHEMBL30666830 0.74 CYP11B1 (0.53) CYP11B1CYP11B2IP6K1IP6K3NPC1
SCHEMBL30667024 0.74 CYP11B1 (0.53) CYP11B1CYP11B2IP6K1IP6K3TDP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
CN-1228072-A Process for preparing 2-aryl-substituted indenes MONTELL TECHNOLOGY COMPANY BV (NL) 1999-09-08 CN disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed