SCHEMBL14900014

SCHEMBL14900014

CC1CCC(O)(N2CCC(=O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.30
HSD11B1 P28845 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
SCHEMBL10190109 0.79 LPAR1 (0.31) LMNACYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL10203457 0.79 LPAR1 (0.31) LMNACYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL10203450 0.79 LPAR1 (0.31) LMNACYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL13398359 0.74
SCHEMBL8141817 0.73 KDM4E (0.35) L3MBTL1
SCHEMBL14042032 0.70 HSD11B1 (0.34) HSD11B1
SCHEMBL7688840 0.68 ACHE (0.36) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL10896358 0.67 ESR2 (0.32) CYP2C9MEN1KMT2A
SCHEMBL104009 0.65
SCHEMBL27836649 0.65 CRBN (0.41) ALDH1A1KMT2A

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-2344483-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-01 EP disclosed