SCHEMBL21101827

SCHEMBL21101827

CCCCC1CCC(O)(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
LSS P48449 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PKM P14618 1/20 0.30
PIM1 P11309 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL23177943 0.82 KDM4E (0.36) POLBHPGD
SCHEMBL9196414 0.79 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL25564727 0.78 FFAR4 (0.35) PIM1
SCHEMBL25025847 0.78 FFAR4 (0.35) PIM1
SCHEMBL24775798 0.77 SAT1 (0.38)
SCHEMBL22601341 0.76 CYP1A2 (0.36) CYP1A2HTTLSS
SCHEMBL17682168 0.75 APLNR (0.36) PIM1
SCHEMBL19304169 0.75 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL23323295 0.73 SLC6A4 (0.31) PIM1
SCHEMBL23323125 0.73 SLC6A4 (0.31) PIM1

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-2019111980-A1 CYCLOALKYLACETIC ACID-TYPE DIAMIDE DERIVATIVE 第一三共株式会社 2019-06-13 WO disclosed