SCHEMBL11587263

SCHEMBL11587263

CCCCCCCCCCOc1nc(OCCCCCCCCCC)nc(OCCCCCCCCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
SOAT1 P35610 1/20 0.45
MCHR1 Q99705 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TSHR P16473 3/20 0.41
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
LTA4H P09960 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
PLA2G4B P0C869 1/20 0.40
THRB P10828 1/20 0.40
KCNH2 Q12809 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL11009919 1.00 NR5A1 (0.47) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL25384494 1.00 NR5A1 (0.47) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL899058 0.97 NR5A1 (0.43) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL598441 0.90 CYP2D6 (0.43) NR5A1MCHR1TLR8CDK1CCNB1
SCHEMBL11395631 0.89 NR5A1 (0.40) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL11387091 0.89 NR5A1 (0.40) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL11391229 0.89 NR5A1 (0.40) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL11390156 0.89 NR5A1 (0.40) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL17486055 0.89 NR5A1 (0.40) NR5A1SOAT1MCHR1TLR8TSHR
SCHEMBL11277302 0.87 NR5A1 (0.46) NR5A1SOAT1MCHR1TLR8TSHR

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-4134929-A Allyl 2-cyanoacrylate-based orthodontic bracket adhesive EASTMAN KODAK COMPANY (US) 1979-01-16 US disclosed