SCHEMBL27744667

SCHEMBL27744667

C=C=C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
CTSL P07711 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SRD5A2 P31213 2/20 0.36

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
SCHEMBL7777980 0.78 CES1 (0.43) CES1CES2AKR1B1MDM2MEN1
SCHEMBL2048300 0.78 CES1 (0.48) CES1CES2AKR1B1MDM2MEN1
SCHEMBL1173628 0.76 ATM (0.45) CES1CES2MAPTL3MBTL1
SCHEMBL16660765 0.76 PTPN1 (0.46) CES1CES2MDM2MEN1KMT2A
SCHEMBL9702758 0.76 HDAC1 (0.38) CES1MEN1KMT2AMAPTL3MBTL1
SCHEMBL11663847 0.74 POLB (0.35) CES1CES2MEN1KMT2AMAPT
SCHEMBL822099 0.71 CES1 (0.55) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL163962 0.70 MAOA (0.50) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL12003573 0.70 CES1 (0.43) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL10489992 0.69 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A

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
CN-101326214-B Polymer and polymeric luminescent element employing the same SUMITOMO CHEMICAL CO 2011-10-05 CN disclosed
CN-101326214-A Polymer and polymeric luminescent element employing the same SUMITOMO CHEMICAL CO (JP) 2008-12-17 CN disclosed