SCHEMBL7833693

SCHEMBL7833693

Cc1[nH]c2cc(Cl)c(O)cc2c1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ PKM P14618 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ ALOX5 P09917 9/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL7834393 0.88 MAPT (0.54) MAPTPKMGAARAB9AKMT2A
SCHEMBL7823567 0.86 MAPT (0.52) MAPTPKMGAARAB9AKMT2A
SCHEMBL6315808 0.83 GAA (0.74) MAPTPKMGAARAB9AKMT2A
SCHEMBL7835270 0.81 ALOX5 (0.57) MAPTGAARAB9AKMT2ANPC1
SCHEMBL6315952 0.79 GAA (0.56) MAPTGAARAB9AKMT2ANPC1
SCHEMBL7824065 0.78 KMT2A (0.48) MAPTPKMGAARAB9AKMT2A
SCHEMBL6318356 0.78 GAA (0.55) MAPTPKMGAARAB9AKMT2A
SCHEMBL8554616 0.77 KIF11 (0.54) MAPTPKMGAARAB9AKMT2A
SCHEMBL7832001 0.77 ALOX5 (0.57) MAPTGAARAB9AKMT2ANPC1
SCHEMBL6317032 0.77 GAA (0.54) MAPTPKMGAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1344270-A Functionalized heterocycles as chemokine receptor modulators THOUSAND YEARS MEDICAMENTS INC (US) 2002-04-10 — — CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
Send feedback