SCHEMBL5684441

SCHEMBL5684441

CCCC1CC=C(N2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
HTT P42858 4/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.30
STAT3 P40763 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL11069203 0.89 KMT2A (0.44) HTTTSHRKDM4EMEN1KMT2A
SCHEMBL12780188 0.88 HTT (0.41) HTTTSHRKDM4EMEN1KMT2A
SCHEMBL6157129 0.86 NOS3 (0.31)
SCHEMBL11809449 0.77 CYP1A2 (0.39) POLBHPGD
SCHEMBL11067142 0.76 CHRNB2 (0.35) HTTMEN1KMT2APKM
SCHEMBL412859 0.76 TSHR (0.38) HTTTSHRKDM4EMEN1KMT2A
SCHEMBL11107808 0.72 MEN1 (0.31) HTTMEN1KMT2AMAPTUSP2
SCHEMBL12764987 0.72 PIK3R1 (0.37) PIK3CAHTTKDM4EMEN1KMT2A
SCHEMBL295938 0.72 LMNA (0.35) HTTTSHRKDM4EMEN1KMT2A
SCHEMBL11449531 0.71 MEN1 (0.33) HTTMEN1KMT2AMAPTUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed