SCHEMBL8780469

SCHEMBL8780469

CCCCCCCCOc1c(C(=O)O)cccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.60
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PLK1 P53350 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL29239976 1.00 PTPN11 (0.60) PTPN11LMNATSHRALDH1A1CYP3A4
SCHEMBL11511175 0.94 PTPN11 (0.54) PTPN11TSHRMEN1KMT2APLK1
SCHEMBL5149360 0.90 HNF4A (0.50) PTPN11ALDH1A1KMT2ALTB4R2HNF4A
SCHEMBL21410539 0.88 ALDH1A1 (0.65) PTPN11LMNATSHRALDH1A1CYP3A4
SCHEMBL6757271 0.87 PTPN11 (0.57) PTPN11LMNATSHRALDH1A1CYP3A4
SCHEMBL32670803 0.87 PTPN11 (0.57) PTPN11LMNATSHRALDH1A1CYP3A4
SCHEMBL11340527 0.85 HNF4A (0.54) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL12765498 0.84 PTPN11 (0.47) PTPN11LMNATSHRALDH1A1CYP3A4
SCHEMBL5156328 0.84 HNF4A (0.53) PTPN11LMNAALDH1A1CYP3A4MEN1
SCHEMBL12121551 0.84 PTPN11 (0.47) PTPN11LMNATSHRALDH1A1CYP3A4

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-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed