SCHEMBL9303618

SCHEMBL9303618

C=CCCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP10 Q53GL7 1/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 2/20 0.42
MEN1 O00255 2/20 0.41
HDAC2 Q92769 2/20 0.41
CYP3A4 P08684 1/20 0.41
RARB P10826 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC1 Q13547 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
SCHEMBL9302777 0.96 GPR52 (0.45) GPR52L3MBTL1ALDH1A1PARP10MAPT
SCHEMBL8912455 0.92 PARP10 (0.50) GPR52L3MBTL1ALDH1A1PARP10MAPT
SCHEMBL9305285 0.92 PARP10 (0.50) GPR52L3MBTL1ALDH1A1PARP10MAPT
SCHEMBL18540255 0.86 THRB (0.45) GPR52L3MBTL1ALDH1A1PARP10MAPT
SCHEMBL18777290 0.86 ALDH1A1 (0.63) L3MBTL1ALDH1A1PARP10MAPTKMT2A
SCHEMBL8923657 0.84 THRB (0.58) MAPTKMT2ATHRBSMN1; SMN2MEN1
SCHEMBL9303397 0.84 KMT2A (0.47) L3MBTL1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL8913584 0.84 THRB (0.58) L3MBTL1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL9256719 0.84 THRB (0.45) L3MBTL1ALDH1A1PARP10MAPTKMT2A
SCHEMBL9303970 0.84 MAPT (0.53) GPR52ALDH1A1MAPTKMT2ARAB9A

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
US-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed