SCHEMBL11766723

SCHEMBL11766723

CC(C)Oc1cc(S(=O)(=O)N(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ PTGER1 P34995 1/20 0.59
▸ PTGER3 P43115 1/20 0.59
▸ PTGER2 P43116 1/20 0.59
▸ PTGDR Q13258 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ AKR1B1 P15121 1/20 0.57
▸ TTR P02766 9/20 0.43
▸ LTB4R Q15722 4/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL11783197 0.89 AKR1B1 (0.60) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11768586 0.89 KDM4E (0.62) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11768718 0.89 ALDH1A1 (0.62) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11768342 0.88 KDM4E (0.61) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11766815 0.88 KMT2A (0.61) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11769072 0.88 KDM4E (0.61) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11767428 0.87 KMT2A (0.60) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11766341 0.86 KMT2A (0.59) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11770953 0.86 AKR1B1 (0.57) KMT2AKDM4EALDH1A1HPGDTP53
SCHEMBL11767916 0.85 AKR1B1 (0.60) KMT2AKDM4EALDH1A1HPGDTP53

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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