SCHEMBL5281212

SCHEMBL5281212

CC(C)(C)c1ccc(C2C[C@@H]2C(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
FFAR1 O14842 3/20 0.36
ACHE P22303 3/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MC4R P32245 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL20299307 0.87 FFAR4 (0.44) CYP4F2CYP4A11MEN1KMT2ARXRA
SCHEMBL5287446 0.81 MEN1 (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL22098534 0.80 FFAR1 (0.48) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL11902614 0.80 HTR2A (0.49) CYP4F2CYP4A11FFAR1ALDH1A1HTT
SCHEMBL11902326 0.80 HTR2A (0.49) CYP4F2CYP4A11FFAR1ALDH1A1HTT
SCHEMBL15541789 0.80 HTR2A (0.49) CYP4F2CYP4A11FFAR1ALDH1A1HTT
SCHEMBL17385720 0.78 CYP4F2 (0.44) CYP4F2CYP4A11FFAR1GPR88
SCHEMBL1474158 0.78 SLC6A2 (0.38) MEN1ALDH1A1HTTBLMKMT2A
SCHEMBL17386283 0.77 CYP4F2 (0.41) CYP4F2CYP4A11FFAR1GPR88HTR2A
SCHEMBL11902519 0.77 HTR2A (0.51) CYP4F2CYP4A11FFAR1MEN1ALDH1A1

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
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed