SCHEMBL16130595

SCHEMBL16130595

CCCOc1ccc(OCC(F)CC2CCC(OCC3CCC(C)CC3)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.33
FFAR1 O14842 4/20 0.33
ALDH1A1 P00352 1/20 0.32
ACACB O00763 4/20 0.32
KDM1A O60341 2/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL14960865 0.90 PTGES (0.32) PPARDFFAR1ACACB
SCHEMBL16130591 0.88 FFAR1 (0.32) PPARDFFAR1ALDH1A1ACACB
SCHEMBL16130648 0.84 ACACB (0.33) PPARDFFAR1ALDH1A1ACACB
SCHEMBL16130588 0.81 SCN9A (0.33) PPARDFFAR1ALDH1A1PPARGPPARA
SCHEMBL16130599 0.80 SCN9A (0.36) PPARDFFAR1ALDH1A1PPARG
SCHEMBL14960952 0.78 PTGES (0.31) PPARDFFAR1ACACB
SCHEMBL10021297 0.76 KDM1A (0.40) PPARDFFAR1ALDH1A1ACACBKDM1A
SCHEMBL14960914 0.74 PTGES (0.33) PPARDFFAR1ACACBPPARG
SCHEMBL16130730 0.73 CYP2C9 (0.32) ALDH1A1
SCHEMBL16590846 0.72 PPARD (0.48) PPARDFFAR1PPARGPPARA

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
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed