SCHEMBL4608554

SCHEMBL4608554

COc1ccccc1-c1cc[c]c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
HTR7 P34969 4/20 0.45
TNKS2 Q9H2K2 1/20 0.44
ERN1 O75460 1/20 0.44
CHEK1 O14757 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
APP P05067 1/20 0.42
PDK2 Q15119 1/20 0.41
PTPN5 P54829 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
DHFR P00374 1/20 0.41
MAP4K4 O95819 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8122162 0.85 ADORA3 (0.41) HTR7ALDH1A1SMN1; SMN2
SCHEMBL26698533 0.83 KCNH2 (0.43) ERN1
SCHEMBL15637637 0.81 PTPRC (0.47) PTPRCPTPN1HTR7TNKS2ERN1
SCHEMBL10553504 0.81 PTPRC (0.47) PTPRCPTPN1HTR7TNKS2ERN1
SCHEMBL4429707 0.81 ACHE (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL27588618 0.81 PTPRC (0.47) PTPRCPTPN1HTR7TNKS2ERN1
SCHEMBL699006 0.80 PTPRC (0.49) PTPRCPTPN1HTR7TNKS2ERN1
SCHEMBL8913076 0.79 HTR7 (0.46) PTPRCPTPN1HTR7TNKS2ERN1
SCHEMBL4436861 0.79 NPC1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL27606404 0.79 HTR7 (0.49) PTPRCPTPN1HTR7TNKS2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed