SCHEMBL7634850

SCHEMBL7634850

O=C1NC(=O)C(Cc2ccc3cc(OCc4c(F)cccc4F)ccc3c2)S1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.57
PPARA Q07869 4/20 0.57
PPARG P37231 8/20 0.48
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL7630978 0.91 FFAR1 (0.56) FFAR1PPARAPPARGALDH1A1NPSR1
SCHEMBL7634096 0.88 FFAR1 (0.56) FFAR1PPARAPPARGMPC2CYP2C8
Netoglitazone SCHEMBL29355960 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL29355957 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL29361540 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL142658 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL20125595 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL29434827 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL20125596 0.88 FFAR1 (0.55) FFAR1PPARAPPARG
Netoglitazone SCHEMBL8877880 0.87 FFAR1 (0.54) FFAR1PPARAPPARG

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
EP-1186588-A1 6-HYDROXY-2-NAPHTHYLCARBINOL AND PROCESS FOR THE PREPARATION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-13 EP disclosed