SCHEMBL8723940

SCHEMBL8723940

O=C(Cl)C(=O)c1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.77
CES1 P23141 2/20 0.77
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL31544074 0.87 CES2 (1.00) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL6317444 0.87 CES2 (1.00) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL2156567 0.87 CES2 (1.00) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL31138026 0.83 CES2 (0.81) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL15180840 0.81 CES2 (0.77) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL1509797 0.81 CES2 (0.77) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL31633743 0.81 CES2 (0.77) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL93276 0.80 CES2 (0.68) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL28272323 0.80 CES2 (0.68) CES2CES1ALDH1A1POLBCYP1A2
SCHEMBL29368196 0.80 CES2 (0.68) CES2CES1ALDH1A1POLBCYP1A2

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