SCHEMBL18924168

SCHEMBL18924168

O=[N+]([O-])CC1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
EPHX1 P07099 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
GSR P00390 2/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
METAP1 P53582 1/20 0.32
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL497088 1.00 TSHR (0.36) TSHREPHX1NOS3NOS1NOS2
SCHEMBL18202924 1.00 TSHR (0.36) TSHREPHX1NOS3NOS1NOS2
SCHEMBL9452653 0.97
SCHEMBL28982087 0.92
SCHEMBL1483957 0.86
Ethyl Acetate SCHEMBL3819307 0.78 ALDH1A1 (0.45) POLBKMT2A
SCHEMBL9151261 0.75 TSHR (0.33) TSHR
SCHEMBL261756 0.75 TSHR (0.33) TSHR
SCHEMBL3962160 0.75 NOS3 (0.49) TSHREPHX1NOS3NOS1NOS2
SCHEMBL3020091 0.75 TSHR (0.33) TSHRNOS3NOS1NOS2

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-9668646-B2 Devices and methods for a contact lens with an inward facing light source VERILY LIFE SCIENCES LLC (US) 2017-06-06 US disclosed