SCHEMBL8186901

SCHEMBL8186901

COc1ccc(C(=O)O)c(OCC(O)CO)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ AGTR1 P30556 1/20 0.51
▸ FABP3 P05413 1/20 0.46
▸ FABP4 P15090 1/20 0.46
▸ FABP5 Q01469 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL9148974 0.81 CYP1A2 (0.47) CYP1A2LMNAAGTR1FABP3FABP4
SCHEMBL27687571 0.80 FABP3 (0.58) FABP3FABP4FABP5KDM4EMAPK1
SCHEMBL8187149 0.79 L3MBTL1 (0.38) CYP1A2LMNAAGTR1KDM4ETSHR
SCHEMBL8187154 0.79 L3MBTL1 (0.38) CYP1A2LMNAAGTR1KDM4ETSHR
SCHEMBL8186904 0.78 CYP1A2 (0.55) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
SCHEMBL8186899 0.73 CYP1A2 (0.58) CYP1A2LMNAAGTR1FABP3FABP4
Guaifenesin SCHEMBL28062894 0.72 CYP1A2 (0.84) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
SCHEMBL7273539 0.71 MAPT (0.60) LMNAFABP3FABP4FABP5KDM4E
SCHEMBL7050989 0.71 CYP1A2 (0.58) CYP1A2LMNAAGTR1KDM4EKCNH2
SCHEMBL568104 0.71 CYP1A2 (0.72) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776354-B1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL NV (NL) 2000-01-12 — — EP disclosed
EP-0721602-B1 RETARDATION LAYER HAVING A DISPERSION ADAPTED TO THE ACTIVE LIQUID-CRYSTALLINE CELL AKZO NOBEL NV (NL) 1999-10-27 — — EP disclosed
WO-1999001788-A1 AN OPTICALLY FUNCTIONAL FILM, A METHOD OF PRODUCING SAME, AND A LIQUID CRYSTAL DISPLAY AKZO NOBEL N.V. (NL) 1999-01-14 — — WO disclosed
US-5760859-A Retardation layer having a dispersion adapted to the active liquid-crystalline cell AKZO NOBEL NV (NL) 1998-06-02 — — US disclosed
EP-0776354-A1 LIQUID-CRYSTALLINE POLYETHERS Akzo Nobel N.V. (NL) 1997-06-04 — — EP disclosed
EP-0721602-A1 RETARDATION LAYER HAVING A DISPERSION ADAPTED TO THE ACTIVE LIQUID-CRYSTALLINE CELL Akzo Nobel N.V. (NL) 1996-07-17 — — EP disclosed
WO-1996006145-A1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL N.V. (NL) 1996-02-29 — — WO disclosed
WO-1995009379-A1 RETARDATION LAYER HAVING A DISPERSION ADAPTED TO THE ACTIVE LIQUID-CRYSTALLINE CELL AKZO NOBEL N.V. (NL) 1995-04-06 — — WO disclosed
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