SCHEMBL8912396

SCHEMBL8912396

C=CCc1ccc(C(=O)Oc2ccc(OCCCCCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 5/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
PLA2G4B P0C869 1/20 0.53
KMT2A Q03164 2/20 0.53
RARB P10826 3/20 0.51

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
SCHEMBL8914596 0.96 LMNA (0.58) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL8912079 0.91 MAPT (0.60) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL8912271 0.88 NPC1 (0.60) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878891 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9196353 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879201 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878488 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878136 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879238 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878527 0.87 NPC1 (0.66) SMN1; SMN2NPC1LMNANFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed