SCHEMBL11768253

SCHEMBL11768253

CC[S+]([O-])c1cc(OC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PTGER1 P34995 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ AKR1B1 P15121 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43

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
SCHEMBL11767838 0.92 TTR (0.46) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11767574 0.91 TTR (0.47) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11767053 0.89 KMT2A (0.58) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11769326 0.89 LTB4R (0.47) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11767456 0.88 KDM4E (0.47) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11491150 0.88 LTB4R (0.45) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11770429 0.87 LTB4R (0.54) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11766645 0.86 KDM4E (0.51) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11784947 0.86 TTR (0.50) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11774406 0.86 TTR (0.50) TTRKDM4EALDH1A1HPGDMEN1

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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