SCHEMBL5348705

SCHEMBL5348705

CCCCCCCCCOc1ccc2cc(C(=O)O)ccc2c1I

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
PTPN11 Q06124 2/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G2D Q9UNK4 1/20 0.52
PLA2G4B P0C869 1/20 0.51
RARB P10826 3/20 0.49
PLA2G2A P14555 1/20 0.49
LTB4R Q15722 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL5342164 0.96 ALDH1A1 (0.51) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5360481 0.85 ALDH1A1 (0.56) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL8214320 0.82 ALDH1A1 (0.55) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL25788104 0.81 THRA (0.68) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL25788109 0.81 THRA (0.68) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL25788111 0.81 THRA (0.68) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL25788106 0.81 THRA (0.68) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5356631 0.81 PLA2G4B (0.53) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5342413 0.81 ALDH1A1 (0.51) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5344236 0.81 PTPN11 (0.53) ALDH1A1HPGDPTPN11TP53TSHR

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