SCHEMBL8912455

SCHEMBL8912455

C=CCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
GPR52 Q9Y2T5 2/20 0.48
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
FFAR1 O14842 2/20 0.44
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL9305285 1.00 PARP10 (0.50) PARP10GPR52KMT2AMAPTRAB9A
SCHEMBL18540255 0.94 THRB (0.45) PARP10GPR52KMT2AMAPTRAB9A
SCHEMBL9303618 0.92 GPR52 (0.46) PARP10GPR52KMT2AMAPTRAB9A
SCHEMBL9131559 0.92 PARP10 (0.51) PARP10GPR52KMT2AMAPTRAB9A
SCHEMBL9302777 0.91 GPR52 (0.45) PARP10GPR52KMT2AMAPTRAB9A
SCHEMBL18540053 0.90 THRB (0.49) PARP10KMT2AMAPTRAB9AL3MBTL1
SCHEMBL18540075 0.89 THRB (0.47) PARP10KMT2AMAPTRAB9AL3MBTL1
SCHEMBL9191667 0.87 FFAR1 (0.47) GPR52FFAR1THRB
SCHEMBL9304692 0.86 KMT2A (0.53) PARP10KMT2AMAPTRAB9ATDP1
SCHEMBL9302944 0.86 KMT2A (0.53) PARP10KMT2AMAPTRAB9ATDP1

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
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed