SCHEMBL11815374

SCHEMBL11815374

CSc1cc(OC(C)(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 10/20 0.46
▸ AKR1B1 P15121 1/20 0.42
▸ LTB4R Q15722 4/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11767418 0.88 TTR (0.49) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11770070 0.85 TTR (0.56) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11766934 0.85 TTR (0.52) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11768944 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11775457 0.85 TTR (0.49) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11812290 0.83 TTR (0.49) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11772872 0.83 LTB4R (0.49) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11485965 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11767763 0.83 TTR (0.53) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL11805288 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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