SCHEMBL8022236

SCHEMBL8022236

CON=C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SRD5A2 P31213 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 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
SCHEMBL31264414 1.00 POLB (0.49) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL8022234 1.00 POLB (0.49) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL6700693 0.85 CYP1A2 (0.47) ALOX15TSHRHPGDCYP1A2CYP2D6
SCHEMBL6790091 0.85 HPGD (0.46) ALOX15TSHRHPGDCYP1A2CYP2D6
SCHEMBL6700689 0.85 CYP1A2 (0.47) ALOX15TSHRHPGDCYP1A2CYP2D6
SCHEMBL11520468 0.84 NPC1 (0.50) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL11520466 0.84 HPGD (0.44) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL11520462 0.84 HPGD (0.44) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL6781009 0.84 HIF1A (0.46) POLBALOX15TSHRHPGDCYP1A2
SCHEMBL9659486 0.83 CA1 (0.48) TSHRHPGDALDH1A1CES2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
CN-1112119-A 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 1995-11-22 CN disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed