SCHEMBL9565816

SCHEMBL9565816

CC1(C(=O)Cl)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(O)CCC(C)(C)C5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.61
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
BCL2L1 Q07817 1/20 0.56
ALOX15 P16050 1/20 0.55
PTPN1 P18031 1/20 0.55
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4285753 0.86 USP2 (0.71) ALOX5CES2CES1ALOX15PTPN1
SCHEMBL9344077 0.81 ALOX5 (0.49) ALOX5CES2CES1BCL2L1ALOX15
SCHEMBL9435810 0.80 ALOX5 (0.53) ALOX5CES2CES1BCL2L1ALOX15
SCHEMBL9346778 0.80 ALOX5 (0.49) ALOX5CES2CES1BCL2L1ALOX15
SCHEMBL13144273 0.79 CES1 (0.68) ALOX5CES2CES1ALOX15PTPN1
SCHEMBL14071732 0.79 CES1 (0.68) ALOX5CES2CES1ALOX15PTPN1
SCHEMBL13144267 0.79 CES1 (0.68) ALOX5CES2CES1ALOX15PTPN1
SCHEMBL14071725 0.79 CES1 (0.68) ALOX5CES2CES1ALOX15PTPN1
SCHEMBL4899244 0.79 PTPN1 (0.72) ALOX5CES1PTPN1USP2
SCHEMBL1047231 0.77 BCL2L1 (0.71) ALOX5CES2CES1BCL2L1ALOX15

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
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 EP disclosed