SCHEMBL11768089

SCHEMBL11768089

CCCOc1cc(S(=O)(=O)O)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.48
▸ TTR P02766 7/20 0.47
▸ AKR1B1 P15121 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ PTGDR Q13258 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL11765667 0.94 LTB4R (0.56) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11768773 0.92 LTB4R (0.48) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11770513 0.92 LTB4R (0.48) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11767528 0.92 TTR (0.48) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11768198 0.91 LTB4R (0.48) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11767233 0.91 TTR (0.48) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11771121 0.90 LTB4R (0.47) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11767381 0.89 KMT2A (0.47) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11767633 0.89 AKR1B1 (0.55) LTB4RTTRAKR1B1KMT2AKDM4E
SCHEMBL11765820 0.89 LTB4R (0.47) LTB4RTTRAKR1B1KMT2AKDM4E

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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