SCHEMBL5861037

SCHEMBL5861037

CC(C)N(C)Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 1/20 0.37
CYP2C18 P33260 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4F8 P98187 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
SCHEMBL5861211 0.83 CYP1A1 (0.41) CYP3A4CYP2D6CYP1A1CYP1A2CYP2E1
SCHEMBL5861739 0.82 CYP1A1 (0.40) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL6162606 0.81 CYP3A4 (0.41) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL3111585 0.80 CYP1A1 (0.43) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL5862769 0.79 HRH3 (0.42) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL5861080 0.79 ERAP1 (0.39) CYP3A4CYP2D6CYP1A1CYP1A2CYP2E1
SCHEMBL5862035 0.78 PRMT1 (0.40) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL3107826 0.77 CYP1A1 (0.40) PRMT1CYP3A4CYP2D6CYP1A1CYP1A2
SCHEMBL3909054 0.77 EIF4A1 (0.40) CYP3A4CYP2D6CYP1A1CYP1A2CYP2E1
SCHEMBL5860726 0.77 TACR1 (0.38) PRMT1

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
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed