SCHEMBL9305417

SCHEMBL9305417

C=CCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 4/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A2 P43354 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9297822 0.92 CYP3A4 (0.52) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9736600 0.86 MEN1 (0.49) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9736464 0.86 CYP3A4 (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9734037 0.86 MEN1 (0.49) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9734980 0.86 CYP3A4 (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL8913713 0.85 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL9303442 0.85 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL9303606 0.85 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9303582 0.85 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL11013802 0.84 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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