SCHEMBL27850004

SCHEMBL27850004

COC(=O)[C@H](C)Oc1cccc(CCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.51
CYP4F2 P78329 3/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
CYP2D6 P10635 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL27850001 1.00 CYP4A11 (0.51) CYP4A11CYP4F2MTNR1AMTNR1BALDH1A1
SCHEMBL27850003 0.96 CYP4F2 (0.57) CYP4A11CYP4F2MTNR1AMTNR1BALDH1A1
SCHEMBL5662951 0.88 CYP4F2 (0.59) CYP4A11CYP4F2MTNR1AMTNR1BALDH1A1
SCHEMBL6671931 0.88 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1MAPTHDAC1
SCHEMBL3165356 0.86 PTGDR2 (0.56) CYP4A11CYP4F2MTNR1AMTNR1BALDH1A1
SCHEMBL3165037 0.86 PTGDR2 (0.56) CYP4A11CYP4F2MTNR1AMTNR1BALDH1A1
SCHEMBL7228518 0.85 ALDH1A1 (0.47) MTNR1BALDH1A1MAPT
SCHEMBL2174618 0.85 ALDH1A1 (0.47) MTNR1BALDH1A1MAPT
SCHEMBL14157560 0.84 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1MAPTHDAC1
SCHEMBL14157559 0.84 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1MAPTHDAC1

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
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed