SCHEMBL22210667

SCHEMBL22210667

CN1C(C)(C)CC(OCCCOC(=O)O)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 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
SCHEMBL11359651 0.79 APEX1 (0.34) TSHRKMT2ANFKB1CYP2C19
Acetic Acid SCHEMBL988128 0.78 TSHR (0.35) TSHRKMT2ANFKB1CYP2C19
SCHEMBL11152233 0.77 NPC1 (0.30)
SCHEMBL15686223 0.77 GAA (0.34)
SCHEMBL11168513 0.76 EPHX2 (0.31)
Phosphoric Acid SCHEMBL11178280 0.75 S1PR1 (0.33)
SCHEMBL14463136 0.75 ITGB3 (0.35) TSHRKMT2ACYP2D6NFKB1CYP2C19
SCHEMBL13645697 0.75
SCHEMBL12588564 0.75 MEN1 (0.32) KMT2A
SCHEMBL13108966 0.75 NAAA (0.41) TSHRKMT2A

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-10711145-B2 Photocurable ink composition and method for forming image FUJIFILM CORPORATION (JP) 2020-07-14 US disclosed