SCHEMBL12448486

SCHEMBL12448486

C=CCc1ccc(C(=O)OC)c(C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PTGS1 P23219 2/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 6/20 0.44
ALOX5 P09917 1/20 0.44
AR P10275 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
KDM4E B2RXH2 5/20 0.43

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
SCHEMBL15233138 0.82 ALDH1A1 (0.41) MAPTSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL16962379 0.79 PDK2 (0.40) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL10777241 0.79 PTGS1 (0.48) MEN1KMT2ANPC1RAB9APTGS1
SCHEMBL26477950 0.77 PPARA (0.53) PPARAPPARG
SCHEMBL12490220 0.77 PTGS1 (0.47) MEN1KMT2ANPC1RAB9APTGS1
SCHEMBL16951721 0.77 PDK2 (0.42) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL11133992 0.76 MEN1 (0.45) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL16951724 0.75 PDK2 (0.46) NPC1RAB9AMAPTHSP90AA1TDP1
SCHEMBL28991434 0.75 CA12 (0.59) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL7737541 0.75 PTGS1 (0.45) MEN1KMT2ANPC1RAB9APTGS1

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
EP-1568688-B1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARM CO LTD (JP) 2011-08-31 EP disclosed