SCHEMBL16449544

SCHEMBL16449544

C[C@H]1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.73
PTPN1 P18031 8/20 0.68
AKR1B10 O60218 3/20 0.68
AKR1B1 P15121 1/20 0.68
POLB P06746 3/20 0.67
PTPN2 P17706 3/20 0.67
CES1 P23141 3/20 0.67
PSMB11 A5LHX3 2/20 0.67
PSMA7 O14818 2/20 0.67
PLA2G1B P04054 2/20 0.67
PTPRC P08575 2/20 0.67
PTPRF P10586 2/20 0.67
F3 P13726 2/20 0.67
PSMB1 P20618 2/20 0.67
ACP1 P24666 2/20 0.67
PSMA1 P25786 2/20 0.67
PSMA2 P25787 2/20 0.67
PSMA3 P25788 2/20 0.67
PSMA4 P25789 2/20 0.67
PSMB8 P28062 2/20 0.67

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
SCHEMBL12422236 1.00 USP2 (0.73) USP2PTPN1AKR1B10AKR1B1POLB
SCHEMBL12422234 0.91 USP2 (0.76) USP2PTPN1AKR1B10AKR1B1POLB
SCHEMBL2903326 0.91 USP2 (0.76) USP2PTPN1AKR1B10AKR1B1POLB
SCHEMBL829035 0.91 USP2 (0.76) USP2PTPN1AKR1B10AKR1B1POLB
SCHEMBL2903327 0.91 USP2 (0.76) USP2PTPN1AKR1B10AKR1B1POLB
SCHEMBL6816904 0.88 ALOX5 (0.75) USP2PTPN1AKR1B10AKR1B1CES1
Beta-Amyrin SCHEMBL12313094 0.84 USP2 (1.00) USP2PTPN1AKR1B10AKR1B1POLB
Beta-Amyrin SCHEMBL18687837 0.84 USP2 (1.00) USP2PTPN1AKR1B10AKR1B1POLB
Beta-Amyrin SCHEMBL18376076 0.84 USP2 (1.00) USP2PTPN1AKR1B10AKR1B1POLB
Beta-Amyrin SCHEMBL377754 0.84 USP2 (1.00) USP2PTPN1AKR1B10AKR1B1POLB

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-2015018596-A1 A METHOD AND A KIT FOR COLOURING KERATINOUS FIBERS UNILEVER N.V. (NL) 2015-02-12 WO disclosed