SCHEMBL9302777

SCHEMBL9302777

C=CCCCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP10 Q53GL7 1/20 0.43
HDAC2 Q92769 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.42
RARB P10826 5/20 0.42
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
MGLL Q99685 1/20 0.41
PRSS1 P07477 1/20 0.40
TMPRSS15 P98073 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
SCHEMBL9303618 0.96 GPR52 (0.46) GPR52THRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL8912455 0.91 PARP10 (0.50) GPR52THRBMAPTALDH1A1L3MBTL1
SCHEMBL9305285 0.91 PARP10 (0.50) GPR52THRBMAPTALDH1A1L3MBTL1
SCHEMBL18540255 0.85 THRB (0.45) GPR52THRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL18540085 0.85 THRB (0.52) THRBMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8913231 0.85 THRB (0.57) THRBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9304788 0.85 MAPT (0.52) GPR52THRBMAPTSMN1; SMN2KMT2A
SCHEMBL8911968 0.85 THRB (0.60) THRBMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL18777290 0.85 ALDH1A1 (0.63) MAPTALDH1A1L3MBTL1PARP10HDAC2
SCHEMBL9303608 0.85 THRB (0.47) THRBMAPTSMN1; SMN2ALDH1A1L3MBTL1

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