SCHEMBL9200313

SCHEMBL9200313

CCOC(=O)C(C)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
SRD5A2 P31213 1/20 0.59
PDGFRB P09619 2/20 0.56
PDGFRA P16234 2/20 0.56
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FLT3 P36888 1/20 0.53
GABRA1 P14867 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA5 P31644 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL9209068 0.83 CYSLTR1 (0.53)
SCHEMBL27016499 0.82 KDM4E (0.60) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL710398 0.81 KDM4E (0.73) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL18886838 0.80 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL853412 0.80 GAA (0.46) ALDH1A1HPGDKDM4EHSD17B10PDGFRB
SCHEMBL1464939 0.79 HPGD (0.53) ALDH1A1HPGDKDM4EHSD17B10SRD5A2
SCHEMBL951355 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL7431714 0.78 MEN1 (0.63) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL951357 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL6219955 0.77 TRPM8 (0.60) ALDH1A1HPGDKDM4ELMNAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed