SCHEMBL11767553

SCHEMBL11767553

NS(=O)(=O)c1cc(S(N)(=O)=O)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.55
▸ TTR P02766 10/20 0.51
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41

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
SCHEMBL11768589 0.90 AKR1B1 (0.44) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11769323 0.87 AKR1B1 (0.51) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11770481 0.87 TTR (0.57) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11771118 0.85 AKR1B1 (0.55) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11768158 0.84 AKR1B1 (0.56) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11770474 0.84 AKR1B1 (0.56) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11768826 0.84 AKR1B1 (0.54) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11767900 0.84 AKR1B1 (0.54) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11773183 0.84 AKR1B1 (0.48) AKR1B1TTRKDM4EMEN1ALDH1A1
SCHEMBL11767570 0.84 AKR1B1 (0.48) AKR1B1TTRKDM4EMEN1ALDH1A1

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-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — 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
Send feedback