SCHEMBL11771663

SCHEMBL11771663

COc1cc(C(C)OC(C)(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
PTGER1 P34995 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGDR Q13258 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TTR P02766 10/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL11768511 0.91 KDM4E (0.62) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11767103 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11767688 0.88 KDM4E (0.51) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11767924 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11770638 0.86 KDM4E (0.54) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11786138 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11773544 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11767881 0.81 KDM4E (0.62) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11770387 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11766634 0.79 KDM4E (0.51) ALDH1A1KDM4EHPGDMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 US disclosed