SCHEMBL9303397

SCHEMBL9303397

C=CCCCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.46
THRB P10828 2/20 0.45
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
NR4A2 P43354 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 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
SCHEMBL9303608 0.96 THRB (0.47) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL9303442 0.92 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL8913713 0.92 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL8923657 0.86 THRB (0.58) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL8913584 0.86 THRB (0.58) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL9256719 0.86 THRB (0.45) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL9303970 0.86 MAPT (0.53) KMT2ASMN1; SMN2MAPTTHRBALDH1A1
SCHEMBL10799184 0.85 THRB (0.64) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL10798412 0.85 THRB (0.64) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL9303618 0.84 GPR52 (0.46) KMT2AMEN1SMN1; SMN2MAPTTHRB

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