SCHEMBL7590892

SCHEMBL7590892

O=C(Cl)c1cccc(C(=O)Cl)c1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
AKR1C3 P42330 1/20 0.54
ATM Q13315 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 2/20 0.48
SRD5A2 P31213 1/20 0.46
NR4A1 P22736 1/20 0.46
PBRM1 Q86U86 1/20 0.44
MYC P01106 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CDC25B P30305 1/20 0.42
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 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
SCHEMBL9622204 0.90 AKR1C3 (0.53) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL28170524 0.88 ALDH1A1 (0.55) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL27321464 0.87 AKR1C3 (0.46) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL27900422 0.87 ALDH1A1 (0.60) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL31672209 0.84 AKR1C3 (0.68) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL78316 0.84 AKR1C3 (0.68) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL857849 0.84 AKR1C3 (0.67) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL9712438 0.84 CLCN2 (0.43) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL9712358 0.82 ELANE (0.42) ALDH1A1AKR1C3ATMTDP1L3MBTL1
SCHEMBL11652453 0.82 AKR1C3 (0.42) ALDH1A1AKR1C3ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754189-B1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORP (US) 2002-10-09 EP disclosed
EP-1015475-A1 VITAMIN B 12? RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO RECEPTAGEN CORPORATION (US) 2000-07-05 EP disclosed
US-6083926-A AGENT COMPRISED OF VITAMIN B12 COVALENTLY COUPLED TO BIOTIN BY WATER-SOLUBLE LINKER THE UNIVERSITY OF WASHINGTON (US) 2000-07-04 US disclosed
US-5869465-A BINDING TO CELL SURFACE RECEPTORS AND AFFECTING THEIR TRAFFICKING PATHWAY FOR THE TREATMENT AND DIAGNOSIS OF DISORDERS IN WARM-BLOODED ANIMALS RECEPTAGEN CORPORATION (US) 1999-02-09 US disclosed
US-5840712-A TARGETS AND LINKERS RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed
US-5840880-A VITAMIN B12 DIMER RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed
US-5739287-A BOUND ALSO TO A RECEPTOR MODULATING AGENT TO IMPEDE CELL SURFACE RECEPTOR TRAFFICKING PATHWAYS BY INHIBITING THE RECYCLING OF RECEPTORS TO THE CELL SURFACE; ANTITUMOR AND -CARCINOGENIC AGENTS; LEUKEMIA UNIVERSITY OF WASHINGTON (US) 1998-04-14 US disclosed
WO-1997014711-A9 VITAMIN B12 RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO 1997-10-02 WO disclosed
WO-1997014711-A1 VITAMIN B12 RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO RECEPTAGEN CORPORATION (US) 1997-04-24 WO disclosed
EP-0754189-A1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORPORATION (US) 1997-01-22 EP disclosed
WO-1995027723-A1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORPORATION (US) 1995-10-19 WO disclosed