SCHEMBL5344236

SCHEMBL5344236

CCCCOc1ccc2cc(C(=O)O)ccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NCEH1 Q6PIU2 2/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
PLA2G2D Q9UNK4 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
SCHEMBL5397525 0.93 NCEH1 (0.48) PTPN11ALDH1A1HPGDNCEH1TSHR
SCHEMBL5342164 0.84 ALDH1A1 (0.51) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL5342413 0.84 ALDH1A1 (0.51) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL5348705 0.81 ALDH1A1 (0.56) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL5360481 0.81 ALDH1A1 (0.56) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL9620757 0.80 TP53 (0.62) TP53TSHRPLA2G4B
SCHEMBL8164689 0.80 CA12 (0.57) ALDH1A1NCEH1TSHR
SCHEMBL12431891 0.78 ALDH1A1 (0.48) PTPN11ALDH1A1HPGD
SCHEMBL4023882 0.78 POLB (0.64) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL2499117 0.77 TP53 (0.58) PTPN11ALDH1A1HPGDTP53TSHR

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