SCHEMBL22175017

SCHEMBL22175017

CC(C)CN1CCN(C2CCC(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
PIK3CD O00329 4/20 0.40
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM2B Q8NHM5 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL3421713 0.92 PIK3CD (0.45) KDM4EPIK3CDPOLBSIGMAR1
SCHEMBL27381771 0.85 PIK3CD (0.38) KDM4EALDH1A1ALOX15PIK3CDPOLB
SCHEMBL23732159 0.84 PIK3CD (0.42) ALDH1A1PIK3CDPOLBSIGMAR1
SCHEMBL21164490 0.84 POLB (0.45) PIK3CDPOLBSIGMAR1
SCHEMBL17308232 0.83 KDM4E (0.41) KDM4EALDH1A1ALOX15POLBMEN1
SCHEMBL25046201 0.83 OPRL1 (0.40) PIK3CD
SCHEMBL3262537 0.83 PIK3CD (0.39) PIK3CDPOLB
SCHEMBL24267755 0.83 OPRL1 (0.40) PIK3CD
SCHEMBL13461316 0.82 POLB (0.44) KDM4EALDH1A1PIK3CDPOLBMEN1
SCHEMBL24267666 0.81 MEN1 (0.40) KDM4EALDH1A1ALOX15PIK3CDPOLB

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
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140052-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed