SCHEMBL11768539

SCHEMBL11768539

CCCS(=O)(=O)c1cc(OCC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 8/20 0.46
▸ LTB4R Q15722 5/20 0.46
▸ AKR1B1 P15121 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 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
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL11771121 0.93 LTB4R (0.47) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11772510 0.93 TTR (0.48) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11486075 0.91 LTB4R (0.46) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11768222 0.91 LTB4R (0.54) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11768733 0.91 TTR (0.47) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11767105 0.89 TTR (0.48) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11767528 0.89 TTR (0.48) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11772029 0.88 KMT2A (0.57) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11767912 0.88 TTR (0.47) TTRLTB4RAKR1B1KDM4EALDH1A1
SCHEMBL11770307 0.88 TTR (0.50) TTRLTB4RAKR1B1KDM4EALDH1A1

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
Send feedback