SCHEMBL8723935

SCHEMBL8723935

O=CC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
JAK2 O60674 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
P2RX7 Q99572 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
CXCL12 P48061 1/20 0.44
ALDH1A1 P00352 5/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7549232 0.88 TSHR (0.49) TSHRJAK2ERCC5FEN1P2RX7
SCHEMBL2652860 0.83 ALDH1A1 (0.50) TSHRJAK2ERCC5FEN1CES2
SCHEMBL29952517 0.83 CES2 (0.60) TSHRERCC5FEN1CES2CES1
SCHEMBL293634 0.83 CES2 (0.60) TSHRERCC5FEN1CES2CES1
SCHEMBL9178892 0.81 MAPK1 (0.39) TSHRCES2CES1ALDH1A1KMT2A
Water SCHEMBL10353121 0.81 CES2 (0.58) TSHRERCC5FEN1CES2CES1
SCHEMBL2865994 0.80 CYP1A2 (0.50) TSHRCES2CES1ALDH1A1PKM
SCHEMBL27512032 0.80 P2RX7 (0.41) TSHRP2RX7CES2CES1ALDH1A1
SCHEMBL21949122 0.80 P2RX7 (0.43) TSHRP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL7549234 0.79 TSHR (0.55) TSHRJAK2ERCC5FEN1P2RX7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849783-A Autobiotics and their use in eliminating nonself cells CELL RESEARCH CORPORATION (US) 1998-12-15 US disclosed
EP-0537267-B1 AUTOBIOTICS AND THEIR USE IN ELIMINATING NONSELF CELLS IN VIVO CELL RES CORP (US) 1994-09-28 EP disclosed
EP-0537267-A1 AUTOBIOTICS AND THEIR USE IN ELIMINATING NONSELF CELLS IN VIVO. CELL RES CORP (US) 1993-04-21 EP disclosed
US-5147652-A Alpha ketoaldehydes CELL RESEARCH CORPORATION (US) 1992-09-15 US disclosed
WO-1992000727-A1 AUTOBIOTICS AND THEIR USE IN ELIMINATING NONSELF CELLS IN VIVO CELL RESEARCH CORPORATION (US) 1992-01-23 WO disclosed