SCHEMBL806470

SCHEMBL806470

CCc1c(C(=O)O)[nH]c(Cc2ccc(Cc3[nH]c(C(=O)O)c(CC)c3C)[nH]2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
PRNP P04156 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
FBP1 P09467 3/20 0.38
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
CYP2D6 P10635 1/20 0.33
DHODH Q02127 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL15086688 0.89 CYP1A2 (0.38) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL10232133 0.81 LMNA (0.43) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL3281983 0.72 RAB9A (0.54) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL5772424 0.70 LMNA (0.49) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL9748797 0.69 CYP1A2 (0.41) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL2761841 0.69 CYP1A2 (0.49) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL3285075 0.66 NPSR1 (0.44) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL1919419 0.66 CYP1A2 (0.41) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL891106 0.65 NPSR1 (0.54) CYP1A2NPSR1CYP2C9PRNPCYP2C19
SCHEMBL18210830 0.65 HSD17B10 (0.58) CYP1A2NPSR1LMNARAB9AMAPT

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
US-8940775-B2 Use of derivatives of pentaphyrine as antimicrobial and disinfectant agents UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2015-01-27 US disclosed
US-8940775-B2 Use of derivatives of pentaphyrine as antimicrobial and disinfectant agents UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2015-01-27 US disclosed
WO-2012035489-A9 USE OF DERIVATIVES OF PENTAPHYRINE AS ANTIMICROBIAL AND DESINFECTANT AGENTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2012-07-19 WO disclosed
WO-2012035489-A1 USE OF DERIVATIVES OF PENTAPHYRINE AS ANTIMICROBIAL AND DESINFECTANT AGENTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2012-03-22 WO disclosed