SCHEMBL4643658

SCHEMBL4643658

CC(=O)C(=O)C(Cl)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
GAA P10253 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6275712 0.84 MTNR1A (0.47) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL4641913 0.81 ALDH1A1 (0.46) ALDH1A1PPARGPPARALMNATP53
SCHEMBL101519 0.79 PPARG (0.46) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL4644356 0.78 MTNR1A (0.46) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL28131536 0.78 PPARG (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL11212800 0.78 MEN1 (0.42) MTNR1AMTNR1BGAACYP1A2CYP2C9
Phosphine SCHEMBL28858272 0.78 PPARG (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL10333646 0.78 MEN1 (0.42) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL28015286 0.77 KMT2A (0.50) MTNR1AMTNR1BGAAALDH1A1MEN1
Dimethylamine SCHEMBL27771570 0.77 MTNR1A (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed