SCHEMBL11768947

SCHEMBL11768947

COc1cc([S+](C)[O-])cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 8/20 0.48
▸ AKR1B1 P15121 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LTB4R Q15722 3/20 0.43
▸ CSF1R P07333 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAOA P21397 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
SCHEMBL11774823 0.89 TTR (0.47) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11767825 0.89 KDM4E (0.47) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11771763 0.88 TTR (0.48) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11767432 0.88 KDM4E (0.56) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11768172 0.87 TTR (0.46) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11485941 0.86 LTB4R (0.48) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11768131 0.86 LTB4R (0.53) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11783029 0.85 LTB4R (0.59) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11768728 0.85 TTR (0.58) TTRAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11767158 0.85 TTR (0.51) TTRAKR1B1KDM4EALDH1A1HPGD

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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