SCHEMBL11769569

SCHEMBL11769569

CC(=O)c1cc(OC(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ PTGER1 P34995 1/20 0.66
▸ PTGER3 P43115 1/20 0.66
▸ PTGER2 P43116 1/20 0.66
▸ PTGDR Q13258 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ TTR P02766 9/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ LTB4R Q15722 3/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL11766575 0.89 KMT2A (0.61) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11765600 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11766718 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11768660 0.87 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11768887 0.87 KMT2A (0.67) ALDH1A1KMT2AKDM4EHPGDMEN1
Xanoxic Acid SCHEMBL2109668 0.85 ALDH1A1 (0.88) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11768902 0.85 KDM4E (0.65) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11767979 0.85 TTR (0.50) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11768944 0.84 KDM4E (0.64) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL11767882 0.84 TTR (0.56) ALDH1A1KMT2AKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US claimed
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
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