SCHEMBL11297972

SCHEMBL11297972

O=C(O)Oc1cccc2cc3c(OC(=O)O)cccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HSD17B10 Q99714 6/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 4/20 0.44
▸ PGR P06401 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FABP7 O15540 3/20 0.41
▸ FABP3 P05413 3/20 0.41

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
SCHEMBL8075767 0.94 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDGAA
Naphthalene SCHEMBL1132213 0.85 HSD17B10 (0.55) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL9785353 0.83 KMT2A (0.45) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL9415731 0.83 FABP3 (0.45) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL15653946 0.83 KMT2A (0.45) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL399266 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL11300044 0.83 NQO1 (0.52) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL2834876 0.82 ESR1 (0.53) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL27548333 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL27317154 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10KDM4EHPGDGAA

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-0004973-B1 THERMOPLASTIC MOULDING COMPOSITIONS ON THE BASIS OF POLYACETALS HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-14 — — EP disclosed
EP-0004973-A1 Thermoplastic moulding compositions on the basis of polyacetals HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 — — EP disclosed
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