SCHEMBL10596404

SCHEMBL10596404

CCCCCCCCOc1ccc(C(=O)Oc2ccccc2OCCCCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
LMNA P02545 3/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
PLA2G4B P0C869 4/20 0.58
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
RARB P10826 3/20 0.56
KMT2A Q03164 2/20 0.55
PLA2G4A P47712 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
SCHEMBL9152639 1.00 NPC1 (0.61) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9737663 0.92 NR5A1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9736994 0.91 LMNA (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL6703415 0.91 NPC1 (0.52) NPC1LMNANFKB1NFKB2RELA
SCHEMBL15255110 0.90 LMNA (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10341780 0.90 LMNA (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5706024 0.88 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9506640 0.87 NPC1 (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9163986 0.87 PLK1 (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9508417 0.87 NPC1 (0.56) NPC1LMNANFKB1NFKB2RELA

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-0342666-A2 Novel biphenyl compounds, method of producing the same as well as liquid crystal compositions and light switching elements each containing the same JAPAN ENERGY CORPORATION (JP) 1989-11-23 EP disclosed