SCHEMBL11769097

SCHEMBL11769097

CCOc1cc(C(=O)CC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.51
▸ LTB4R Q15722 6/20 0.50
▸ TSHR P16473 1/20 0.46
▸ 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
▸ AKR1B1 P15121 1/20 0.44
▸ LTB4R2 Q9NPC1 3/20 0.43
▸ POLB P06746 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL11765879 0.91 LTB4R (0.56) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11487862 0.90 LTB4R (0.52) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11767784 0.90 TTR (0.52) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11769018 0.90 TTR (0.52) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11768338 0.89 LTB4R (0.64) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11768716 0.87 TTR (0.52) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11768414 0.87 KDM4E (0.57) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11770253 0.86 KDM4E (0.48) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11774953 0.84 TTR (0.49) TTRLTB4RTSHRKDM4EMEN1
SCHEMBL11767393 0.84 TTR (0.48) TTRLTB4RTSHRKDM4EMEN1

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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