SCHEMBL9460965

SCHEMBL9460965

CC(C)c1cc(C(C)(C)c2cc(C(C)C)c(Oc3ccc(C(=O)O)c(C(=O)O)c3)c(C(C)C)c2)cc(C(C)C)c1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.43
THRA P10827 8/20 0.42
THRB P10828 8/20 0.42
TDP1 Q9NUW8 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
HPSE Q9Y251 1/20 0.38
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL8656957 0.83 ALDH1A1 (0.49) ALDH1A1POLBTHRATHRBTDP1
SCHEMBL9460969 0.81 ALDH1A1 (0.46) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL9460952 0.81 ALDH1A1 (0.48) ALDH1A1POLBTHRATHRBTDP1
SCHEMBL9460697 0.80 ALDH1A1 (0.45) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL260857 0.78 POLB (0.58) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL29401261 0.78 POLB (0.58) ALDH1A1POLBTDP1DUSP3PTPN5
Water SCHEMBL3777569 0.77 POLB (0.56) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL21437004 0.77 POLB (0.56) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL21437005 0.77 POLB (0.56) ALDH1A1POLBTDP1DUSP3PTPN5
SCHEMBL9460899 0.76 ALDH1A1 (0.42) ALDH1A1POLBTDP1DUSP3PTPN5

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-5189137-A Method for preparing a high molecular weight polyethermide polymer in a dual solvent system GENERAL ELECTRIC COMPANY (US) 1993-02-23 US disclosed
US-4769476-A POLYIMIDE MONOMERS GENERAL ELECTRIC COMPANY (US) 1988-09-06 US disclosed
EP-0217267-A2 Bis(dialkyl aromatic ether anhydride) and polymers obtained therefrom GENERAL ELECTRIC COMPANY (US) 1987-04-08 EP disclosed
US-4650850-A IMPROVED HEAT DISTORTION TEMPERATURES GENERAL ELECTRIC COMPANY (US) 1987-03-17 US disclosed