SCHEMBL11767428

SCHEMBL11767428

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ PTGER1 P34995 1/20 0.60
▸ PTGER3 P43115 1/20 0.60
▸ PTGER2 P43116 1/20 0.60
▸ PTGDR Q13258 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ TTR P02766 9/20 0.47
▸ AKR1B1 P15121 1/20 0.45
▸ LTB4R Q15722 5/20 0.42
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RORC P51449 1/20 0.36
▸ RXRA P19793 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
SCHEMBL11772029 0.93 KMT2A (0.57) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11768718 0.90 ALDH1A1 (0.62) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11768586 0.90 KDM4E (0.62) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11768342 0.89 KDM4E (0.61) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11766815 0.89 KMT2A (0.61) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11769072 0.89 KDM4E (0.61) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11767070 0.89 TTR (0.49) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11772510 0.88 TTR (0.48) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11766341 0.87 KMT2A (0.59) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11766723 0.87 KMT2A (0.59) KMT2AKDM4EMEN1ALDH1A1TP53

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
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