SCHEMBL8938045

SCHEMBL8938045

CCC1CCCC[C]1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 2/20 0.34
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL7358858 0.94 HTR6 (0.34) NOS1NOS2NOS3PTGS1
SCHEMBL8835559 0.80 GRM2 (0.38) KDM4E
SCHEMBL11504128 0.80 DDB1 (0.42) MEN1KMT2AALDH1A1NOS1NOS2
SCHEMBL3544624 0.77 L3MBTL1 (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7175798 0.77 TAAR1 (0.37) KDM4EMEN1KMT2AALDH1A1
SCHEMBL5534036 0.76 HRH2 (0.41) MEN1KMT2AALDH1A1NOS1NOS2
SCHEMBL7700085 0.72 CHRNB4 (0.41) MEN1KMT2AALDH1A1NOS1NOS2
SCHEMBL6367893 0.71 CHRNB4 (0.35) MEN1KMT2AALDH1A1NOS1NOS2
SCHEMBL576359 0.71 CHRNB4 (0.35) MEN1KMT2AALDH1A1NOS1NOS2
SCHEMBL4618385 0.71 SLC18A3 (0.39) MEN1KMT2AALDH1A1NOS1NOS2

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
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed