SCHEMBL8729465

SCHEMBL8729465

O=C(Cl)CCl.O=C(Cl)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
FFAR1 O14842 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6013 0.94 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
Fluoride SCHEMBL27943650 0.92 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
Hydrochloric Acid SCHEMBL8698847 0.90 PPARG (0.50) ALOX15KMT2AMEN1NPC1RAB9A
Pyridine SCHEMBL2046976 0.83 LMNA (0.55) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL2117441 0.83 ALOX15 (0.50) ALOX15KMT2AMEN1HPGDSMN1; SMN2
Phenetole SCHEMBL28204387 0.82 LTA4H (0.57) ALOX15KMT2AMEN1NPC1RAB9A
SCHEMBL2324869 0.82 MAPT (0.58) ALOX15KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4125546 0.82 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL4643662 0.80 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL3054083 0.79 PLA2G4B (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed