SCHEMBL25814472

SCHEMBL25814472

CCN(I)CCOC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 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
SCHEMBL25490864 0.81 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL24689940 0.81 NAAA (0.45) ALDH1A1TSHRLMNACHRM5CHRM1
SCHEMBL18967264 0.77
SCHEMBL454947 0.77 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL65170 0.77 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL14040573 0.76 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10CHRM5
Hydrochloric Acid SCHEMBL27973020 0.76 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL23084230 0.75 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27695724 0.75 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL11929073 0.74 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHSD17B10CHRM5

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-20230213695-A1 LAMINATES, POLARIZING PLATES, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-07-06 US disclosed