SCHEMBL11814488

SCHEMBL11814488

CCCOC(=O)c1ccc2oc3c(SC)cc(SC)cc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.40
▸ LTB4R Q15722 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ TTR P02766 5/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL11811531 0.93 LTB4R (0.45) LTB4RALDH1A1TTRESR1TSHR
SCHEMBL11812931 0.92 RAB9A (0.41) MAOBALDH1A1KDM4EPOLBTTR
SCHEMBL11813487 0.87 ALDH1A1 (0.38) LTB4RALDH1A1KDM4ETTRTSHR
SCHEMBL11766614 0.86 NPC1 (0.40) ALDH1A1KDM4ETTRLMNANPC1
SCHEMBL11766849 0.85 LTB4R (0.45) LTB4RALDH1A1TTRESR1CHRM1
SCHEMBL11812866 0.84 HSD17B10 (0.37) LTB4RALDH1A1KDM4ETTRNPC1
SCHEMBL11770156 0.83 MEN1 (0.42) MAOBALDH1A1KDM4EPOLBTTR
SCHEMBL11814835 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBTTRNPC1
SCHEMBL11767482 0.83 LTB4R (0.45) LTB4RALDH1A1TTRESR1TSHR
SCHEMBL11770500 0.82 TTR (0.52) LTB4RALDH1A1KDM4ETTRNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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