SCHEMBL9302944

SCHEMBL9302944

C=CCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.53
PARP10 Q53GL7 1/20 0.49
MAPT P10636 4/20 0.47
PTPN1 P18031 1/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SRD5A1 P18405 1/20 0.43
THRB P10828 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9304692 1.00 KMT2A (0.53) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL4284968 0.91 KMT2A (0.62) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL11013802 0.91 KMT2A (0.58) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL9297822 0.89 CYP3A4 (0.52) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL8912455 0.86 PARP10 (0.50) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL9305285 0.86 PARP10 (0.50) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL9303618 0.84 GPR52 (0.46) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL11786917 0.84 F2 (0.47) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL9734037 0.84 MEN1 (0.49) KMT2ATDP1MEN1L3MBTL1CYP3A4
SCHEMBL9736600 0.84 MEN1 (0.49) KMT2ATDP1MEN1L3MBTL1CYP3A4

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