SCHEMBL1744700

SCHEMBL1744700

CC(Oc1ccc(OCc2cccc(-c3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
GAA P10253 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
CYP2C19 P33261 1/20 0.64
FFAR1 O14842 9/20 0.61
AKR1B1 P15121 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NR4A2 P43354 1/20 0.56
PPARG P37231 6/20 0.54
PPARA Q07869 5/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
PPARD Q03181 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL27516720 0.91 CYP1A2 (0.62) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5111673 0.87 LMNA (0.74) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9471057 0.87 LMNA (0.74) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1746424 0.86 FFAR1 (0.62) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL19479625 0.84 CYP1A2 (0.68) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11730903 0.83 L3MBTL1 (0.68) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL28165618 0.82 MAOB (0.60) PKMLMNAL3MBTL1NR4A2PPARG
SCHEMBL27566556 0.80 LMNA (0.60) FFAR1AKR1B1FFAR4LMNAL3MBTL1
SCHEMBL10500644 0.80 CYP1A2 (0.74) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7976627 0.80 CYP1A2 (1.00) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed