SCHEMBL7920103

SCHEMBL7920103

CCCCCCCC(=O)Oc1c(F)cc2cc(-c3ccc(OCCCCCC)cc3)ccc2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.46
RARA P10276 1/20 0.44
FAAH O00519 6/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 2/20 0.40
PLA2G4B P0C869 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL5722664 0.79 RARB (0.45) RARBRARATP53TSHRPLA2G4B
SCHEMBL5722771 0.78 NR5A1 (0.48) RARBRARAFAAHTP53TSHR
SCHEMBL10540387 0.77 RARB (0.64) RARBFAAHTP53TSHRPLA2G4B
SCHEMBL9652131 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9476333 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9479205 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9475902 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9479168 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9476687 0.75 THRA (0.51) RARBRARAPPARGPPARA
SCHEMBL9477118 0.75 THRA (0.51) RARBRARAPPARGPPARA

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-0946474-B1 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-11-07 EP disclosed
US-6159561-A FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICES HOECHST AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed