SCHEMBL8676232

SCHEMBL8676232

COCC(=O)Cl.O=C(Cl)COc1ccc(Cl)cc1.O=C(Cl)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GPR183 P32249 1/20 0.54
ALDH1A1 P00352 4/20 0.47
ADAMTS5 Q9UNA0 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PPARG P37231 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
SCHEMBL8699812 0.85 CES2 (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL7664334 0.79 ADAMTS5 (0.52) KMT2AMEN1GPR183ALDH1A1ADAMTS5
SCHEMBL105460 0.79 ATF4 (0.54) KMT2AMEN1ALDH1A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8698847 0.77 PPARG (0.50) KMT2AMEN1GPR183ADAMTS5L3MBTL1
SCHEMBL3054083 0.75 PLA2G4B (0.64) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL3299784 0.75 NPC1 (0.62) ALDH1A1L3MBTL1MAPTTDP1NPC1
SCHEMBL11459201 0.75 LMNA (0.56) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL9362390 0.74 ATF4 (0.50) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL10760471 0.74 USP2 (0.50) KMT2AMEN1GPR183ALDH1A1ADAMTS5
SCHEMBL10760470 0.74 USP2 (0.50) KMT2AMEN1GPR183ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed