SCHEMBL25477359

SCHEMBL25477359

CC(C)N1/C(=C/C=C2C(=O)OC(C)(C)OC2=O)CCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.35
▸ APP P05067 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL25477353 0.83 ALDH1A1 (0.35) ALDH1A1APPSMN1; SMN2MEN1MAPT
SCHEMBL19038901 0.68 ALDH1A1 (0.47) ALDH1A1APPSMN1; SMN2MEN1MAPT
SCHEMBL19038912 0.68 ALDH1A1 (0.47) ALDH1A1APPSMN1; SMN2MEN1MAPT
SCHEMBL18841329 0.66 P2RX7 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL19239987 0.62 ALDH1A1 (0.37) ALDH1A1APPMAPTKMT2AL3MBTL1
SCHEMBL19240004 0.62 ALDH1A1 (0.48) ALDH1A1APPSMN1; SMN2MEN1MAPT
SCHEMBL17897730 0.62 ALDH1A1 (0.34) ALDH1A1APPSMN1; SMN2CRHBPCRHR2
SCHEMBL14964086 0.60 ALDH1A1 (0.41) ALDH1A1APPPTPN1SMN1; SMN2KMT2A
SCHEMBL13467414 0.60 ALDH1A1 (0.42) ALDH1A1APPPTPN1SMN1; SMN2MAPK1
SCHEMBL3077632 0.60 PTPN1 (0.47) ALDH1A1PTPN1SMN1; SMN2KMT2ACRHBP

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
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