SCHEMBL11767299

SCHEMBL11767299

O=C(O)c1ccc2oc3c(OCS)cc(OCS)cc3c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 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 6/20 0.46
▸ AKR1B1 P15121 1/20 0.42
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL11766947 0.88 NPC1 (0.40) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11768716 0.86 TTR (0.52) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11768898 0.84 LTB4R (0.56) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11766422 0.83 LTB4R (0.61) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11768290 0.83 LTB4R (0.63) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11768779 0.83 KDM4E (0.52) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11769209 0.81 KDM4E (0.50) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11765614 0.80 TTR (0.52) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11862647 0.80 KMT2A (0.68) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11767290 0.78 TTR (0.50) TTRKDM4EMEN1ALDH1A1TP53

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-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
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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