SCHEMBL6516593

SCHEMBL6516593

Cc1ccc(OC(C)[O])cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NLRP1 Q9C000 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A3 P47895 1/20 0.40
TEAD4 Q15561 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4074898 0.80 ACHE (0.46) ACHEKMT2AMEN1CYP3A4TSHR
SCHEMBL5697814 0.80 CA1 (0.55) ACHECYP3A4MAPTALDH1A1CA1
SCHEMBL1162019 0.79 ACHE (0.50) ACHEKMT2AMEN1CYP3A4TSHR
SCHEMBL104201 0.79 ALDH1A3 (0.54) ACHEKMT2AMEN1CYP3A4TSHR
SCHEMBL4176249 0.78 ALDH1A1 (0.52) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL4186569 0.78 POLB (0.47) LMNAALDH1A1PPARGPPARANPSR1
SCHEMBL57754 0.77 MTNR1A (0.46) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL28911421 0.76 ACHE (0.52) ACHEKMT2AMEN1CYP3A4TSHR
SCHEMBL18727137 0.75 ACHE (0.46) ACHEKMT2AMEN1CYP3A4TSHR
SCHEMBL7521294 0.75 ACHE (0.46) ACHEKMT2AMEN1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933068-B2 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 2005-08-23 US disclosed
US-20020172850-A1 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA, JSR CORPORATION 2002-11-21 US disclosed
US-4701452-A STIMULANTS; ANTIBIOTICS HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 US disclosed
US-4454129-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-12 US disclosed