SCHEMBL21133632

SCHEMBL21133632

CCNCCC1CCCC2CCC2CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.42
CYP1A2 P05177 2/20 0.34
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8396708 0.89
SCHEMBL7621214 0.85 CYP1A2 (0.46) SAT1CYP1A2MAPTSIGMAR1CHRM2
SCHEMBL5392967 0.85
SCHEMBL23171855 0.85 SAT1 (0.36) SAT1CYP1A2MAPTSIGMAR1CHRM2
SCHEMBL20099364 0.83 CYP1A2 (0.50) SAT1CYP1A2SIGMAR1CHRM2CHRM1
SCHEMBL1483921 0.83 CYP1A2 (0.50) SAT1CYP1A2SIGMAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5394488 0.83
SCHEMBL17208387 0.77 SAT1 (0.47) SAT1CYP1A2CYP2C19MEN1GLA
SCHEMBL17208386 0.77 SAT1 (0.47) SAT1CYP1A2CYP2C19MEN1GLA
SCHEMBL8392349 0.77 SAT1 (0.52) SAT1CYP1A2MAPTSIGMAR1CYP2C19

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
US-10774948-B2 Apical filler layers CENTURYLINK INTELLECTUAL PROPERTY LLC (US) 2020-09-15 US disclosed
US-10330882-B2 Apical radiator CENTURYLINK INTELLECTUAL PROPERTY LLC (US) 2019-06-25 US disclosed