SCHEMBL8775046

SCHEMBL8775046

O=C(Oc1ccccc1)OC(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL4492405 0.78 ALOX15 (0.43) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL29001732 0.78 ATM (0.40) ALDH1A1KMT2AATML3MBTL1TDP1
SCHEMBL8995660 0.76 ATM (0.45) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL27352197 0.73 TDP1 (0.54) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL2294879 0.73 LMNA (0.30)
SCHEMBL9353455 0.73 TDP1 (0.54) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL9353461 0.73 TDP1 (0.54) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL18073 0.73 TDP1 (0.54) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL9241160 0.73 TDP1 (0.54) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL1792881 0.73 TSHR (0.48) ALDH1A1KMT2AMEN1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804466-A1 NOVEL TETRAPEPTIDES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
WO-1995030690-A1 NOVEL TETRAPEPTIDES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed