SCHEMBL11770191

SCHEMBL11770191

COc1cc(C(C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 8/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PTGER1 P34995 1/20 0.49
▸ PTGER3 P43115 1/20 0.49
▸ PTGER2 P43116 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PTGDR Q13258 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ AKR1B1 P15121 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47

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
SCHEMBL11765614 0.88 TTR (0.52) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11769520 0.88 TTR (0.52) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11769018 0.87 TTR (0.52) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11767784 0.87 TTR (0.52) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11771324 0.87 KMT2A (0.61) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11493784 0.85 LTB4R (0.52) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11769100 0.85 LTB4R (0.56) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11767733 0.84 TTR (0.49) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11768947 0.83 TTR (0.48) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11771021 0.83 AKR1B1 (0.55) TTRNPC1RAB9AKDM4EALDH1A1

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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