SCHEMBL25477353

SCHEMBL25477353

CN1/C(=C/C=C2C(=O)OC(C)(C)OC2=O)CCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.35
▸ TP53 P04637 2/20 0.35
▸ APP P05067 1/20 0.35
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL25477359 0.83 ALDH1A1 (0.35) ALDH1A1APPCRHBPCRHR2TSHR
SCHEMBL19239987 0.77 ALDH1A1 (0.37) ALDH1A1TP53APPKMT2AMAPT
SCHEMBL19038912 0.74 ALDH1A1 (0.47) ALDH1A1APPCRHBPCRHR2SMN1; SMN2
SCHEMBL19038901 0.74 ALDH1A1 (0.47) ALDH1A1APPCRHBPCRHR2SMN1; SMN2
SCHEMBL17897730 0.71 ALDH1A1 (0.34) ALDH1A1APPCRHBPCRHR2SMN1; SMN2
SCHEMBL19240004 0.65 ALDH1A1 (0.48) ALDH1A1TP53APPCRHBPCRHR2
SCHEMBL13467414 0.63 ALDH1A1 (0.42) ALDH1A1APPCRHBPCRHR2TSHR
SCHEMBL14964086 0.63 ALDH1A1 (0.41) ALDH1A1APPCRHBPCRHR2TSHR
SCHEMBL4329315 0.62 — —
SCHEMBL9889302 0.60 ALDH1A1 (0.40) ALDH1A1APPCRHBPCRHR2TSHR

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-20230145740-A1 OPTICAL FILTER AGC Inc. (JP) 2023-05-11 — — US disclosed
US-20230145740-A1 OPTICAL FILTER AGC Inc. (JP) 2023-05-11 — — US disclosed
Send feedback