SCHEMBL11767566

SCHEMBL11767566

CCCS(=O)(=O)c1cc(OCC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.49
▸ LTB4R Q15722 6/20 0.48
▸ TTR P02766 9/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL11766177 0.93 LTB4R (0.52) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11766582 0.93 AKR1B1 (0.52) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11766812 0.91 LTB4R (0.59) AKR1B1LTB4RTTRALDH1A1TP53
SCHEMBL11494058 0.91 LTB4R (0.50) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11767059 0.91 AKR1B1 (0.50) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11767628 0.89 AKR1B1 (0.52) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11770899 0.89 AKR1B1 (0.52) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11767048 0.88 KDM4E (0.52) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11766480 0.88 AKR1B1 (0.51) AKR1B1LTB4RTTRKMT2AKDM4E
SCHEMBL11775067 0.88 AKR1B1 (0.51) AKR1B1LTB4RTTRKMT2AKDM4E

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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