SCHEMBL9819044

SCHEMBL9819044

O=C(O)CC1C[C@H](Cc2ccccc2)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PSMB5 P28074 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 2/20 0.37
FFAR1 O14842 2/20 0.37
MAOB P27338 1/20 0.37
GRM2 Q14416 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9819040 1.00 LTB4R (0.43) LTB4RLTB4R2POLBHTTALDH1A1
SCHEMBL9818902 0.91 MAOB (0.41) LTB4RLTB4R2HTTPPARGPPARD
SCHEMBL9818900 0.91 MAOB (0.41) LTB4RLTB4R2HTTPPARGPPARD
SCHEMBL9818925 0.88 MEN1 (0.48) ALDH1A1HPGDPPARGPPARDPSMB5
SCHEMBL9818920 0.88 MEN1 (0.48) ALDH1A1HPGDPPARGPPARDPSMB5
SCHEMBL9818878 0.86 ABCB1 (0.46) POLBHTTHPGDABCB1
SCHEMBL9818872 0.86 ABCB1 (0.46) POLBHTTHPGDABCB1
SCHEMBL9819065 0.85 FFAR1 (0.41) PPARGPPARDFFAR1
SCHEMBL9819060 0.85 FFAR1 (0.41) PPARGPPARDFFAR1
SCHEMBL27277358 0.85 CCR2 (0.43) POLBMEN1LMNAKMT2AMAOB

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
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed