SCHEMBL29328408

SCHEMBL29328408

CCC(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.64
CYP2C19 P33261 1/20 0.53
ABCB11 O95342 1/20 0.53
ALB P02768 1/20 0.53
PGR P06401 1/20 0.53
ADRA2C P18825 1/20 0.53
GHSR Q92847 1/20 0.53
RORC P51449 1/20 0.52

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
SCHEMBL19694994 0.89 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL30171209 0.89 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL22728020 0.89 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL15934329 0.89 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL20459116 0.87 AR (0.60) ARCYP2C19ABCB11ALBPGR
SCHEMBL19190302 0.84 AR (0.58) ARPGR
SCHEMBL19190178 0.82 AR (0.56) AR
SCHEMBL31326248 0.82 AR (0.66) ARCYP2C19
SCHEMBL21660597 0.82 AR (0.66) ARCYP2C19
SCHEMBL19190220 0.82 AR (0.66) ARCYP2C19

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-12044968-B2 Protective film-forming composition having acetal structure and amide structure NISSAN CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
US-12044968-B2 Protective film-forming composition having acetal structure and amide structure NISSAN CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed