SCHEMBL5349151

SCHEMBL5349151

CCCCCCCCCCCCOc1ccc(-c2ccccc2C(=O)OCCC)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.61
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL5347661 0.83 PTPN11 (0.57) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL5975366 0.77 ALDH1A1 (0.74) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL5975125 0.77 ALDH1A1 (0.74) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL11330763 0.77 ALDH1A1 (0.74) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL12816232 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL2853795 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL9636466 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL7078029 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL6267333 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4
SCHEMBL5515133 0.76 ALDH1A1 (0.79) PTPN11ALDH1A1TSHRLMNACYP3A4

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-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed