SCHEMBL10707014

SCHEMBL10707014

CCCCCOc1ccc(OC(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.65
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PLA2G4B P0C869 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NR5A1 Q13285 1/20 0.53

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
SCHEMBL10710134 0.97 FAAH (0.68) FAAHTP53TSHRNPC1LMNA
SCHEMBL898713 0.92 TP53 (0.64) FAAHTP53TSHRNPC1LMNA
SCHEMBL6575501 0.88 TP53 (0.58) FAAHTP53TSHRNPC1LMNA
SCHEMBL10707971 0.88 TP53 (0.53) FAAHTP53TSHRNPC1LMNA
SCHEMBL5169009 0.86 NR5A1 (0.62) FAAHTP53TSHRCYP1A2CYP2D6
SCHEMBL14132235 0.85 NPC1 (0.71) FAAHTP53TSHRNPC1LMNA
SCHEMBL14131958 0.85 NPC1 (0.71) FAAHTP53TSHRNPC1LMNA
SCHEMBL15924079 0.84 NR5A1 (0.66) FAAHTP53TSHRNPC1LMNA
SCHEMBL10825058 0.84 NR5A1 (0.66) FAAHTP53TSHRNPC1LMNA
SCHEMBL10709087 0.84 FAAH (0.54) FAAHTP53TSHRNPC1LMNA

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-0184012-B1 LIQUID CRYSTAL COMPOSITIONS BAYER AG (DE) 1988-01-07 EP disclosed
EP-0184012-A1 Liquid crystal compositions BAYER AG (DE) 1986-06-11 EP disclosed