SCHEMBL27646262

SCHEMBL27646262

CC1(C2CC2)CC1(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL27646261 0.91 ALDH1A1 (0.35) FFAR3MAPK1LMNABLMSMN1; SMN2
SCHEMBL5899717 0.74 FFAR3 (0.42) FFAR3LMNABLMSMN1; SMN2
SCHEMBL5899695 0.67 GRM2 (0.34) FFAR3
SCHEMBL5899747 0.65 FFAR3 (0.32) FFAR3
SCHEMBL5899587 0.65 CYP1A2 (0.40) LMNABLMSMN1; SMN2
SCHEMBL5899661 0.63
SCHEMBL5899634 0.63 FFAR3 (0.30) FFAR3
SCHEMBL5428847 0.62 MAPK1 (0.42) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL5899738 0.61
SCHEMBL5899689 0.61 USP2 (0.36) FFAR3CYP2C19LMNABLMSMN1; SMN2

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
CN-1764634-A Cyclopropyl beta-amino acid derivatives WARNER LAMBERT CO (US) 2006-04-26 CN claimed
CN-1764634-A Cyclopropyl beta-amino acid derivatives WARNER LAMBERT CO (US) 2006-04-26 CN disclosed