SCHEMBL22945790

SCHEMBL22945790

CCOc1cc(C(C)C)cc(COC)c1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.34
BCHE P06276 4/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR1 P34998 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22945628 0.82 ACHE (0.41) ACHEBCHEKMT2ATSHRMAPK1
SCHEMBL22946236 0.78 BCHE (0.35) ACHEBCHEKMT2ATSHRALDH1A1
SCHEMBL22946271 0.78 ACHE (0.41) ACHEBCHEKMT2ATSHRALDH1A1
SCHEMBL19726455 0.75 ACHE (0.38) ACHEBCHEKMT2ATSHRALDH1A1
SCHEMBL19726451 0.75 CRHR1 (0.45) ACHEBCHEKMT2ATSHRCRHR1
SCHEMBL19726449 0.75 KMT2A (0.41) ACHEBCHEKMT2ATSHRALDH1A1
SCHEMBL28709094 0.73 RRM1 (0.44) BCHEKMT2A
SCHEMBL29633559 0.73 RRM1 (0.44) BCHEKMT2A
SCHEMBL29633627 0.72 TSHR (0.51) KMT2ATSHRMAPK1HTTLMNA
SCHEMBL22945604 0.72 TSHR (0.51) KMT2ATSHRMAPK1HTTLMNA

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
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed