SCHEMBL8778447

SCHEMBL8778447

CCCCCCCCCCCCOc1cc(C(=O)Cl)c(OCCCCCCCCCCCC)cc1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
PTPN11 Q06124 3/20 0.48
S1PR3 Q99500 1/20 0.48
TSHR P16473 2/20 0.47
PLA2G2A P14555 1/20 0.47
TP53 P04637 1/20 0.47
PLA2G4B P0C869 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
SCHEMBL10621050 1.00 MEN1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL667572 1.00 MEN1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8154031 0.98 CYP3A4 (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL20415949 0.89 CYP3A4 (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8421089 0.84 PLK1 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL35210991 0.84 PTPN11 (0.64) PTPN11S1PR3TSHRPLA2G2ATP53
SCHEMBL10539639 0.84 PTPN11 (0.64) PTPN11S1PR3TSHRPLA2G2ATP53
SCHEMBL4462194 0.84 PTPN11 (0.64) PTPN11S1PR3TSHRPLA2G2ATP53
SCHEMBL668981 0.84 PTPN11 (0.64) PTPN11S1PR3TSHRPLA2G2ATP53
SCHEMBL3906642 0.84 PTPN11 (0.64) PTPN11S1PR3TSHRPLA2G2ATP53

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
EP-0813563-A1 HYDROLYSIS-RESISTANT ARAMIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP disclosed
WO-1996028494-A1 HYDROLYSIS-RESISTANT ARAMIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO disclosed
US-5543492-A ALKOXY SUBSTITUTION ON AROMATIC MONOMER UNITS; HYDROLYTIC STABILITY, HIGH TEMPERATURE RESISTANCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-06 US disclosed