SCHEMBL11811531

SCHEMBL11811531

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.45
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TTR P02766 1/20 0.38
▸ ESR1 P03372 6/20 0.38
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ RNASEL Q05823 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL11814488 0.93 MAOB (0.40) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11766849 0.90 LTB4R (0.45) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11767482 0.90 LTB4R (0.45) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11812931 0.89 RAB9A (0.41) MAPTNPC1RAB9AALDH1A1TTR
SCHEMBL11767315 0.89 LTB4R (0.52) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11767469 0.89 LTB4R (0.48) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11773887 0.89 LTB4R (0.48) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11766512 0.89 LTB4R (0.52) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11813487 0.84 ALDH1A1 (0.38) LTB4RNPC1RAB9AALDH1A1TTR
SCHEMBL11769105 0.84 LTB4R (0.51) LTB4RNPC1RAB9ATTR

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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