SCHEMBL8829223

SCHEMBL8829223

CCCCCCCCCCCCOc1ccccc1-c1ccc(C2CCC(CCC)CC2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
KDM4E B2RXH2 4/20 0.36
FAAH O00519 2/20 0.36
PTPN11 Q06124 1/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
ADRB2 P07550 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8829218 0.88 SOAT1 (0.37) CNR2KDM4EFAAHPTPN11
SCHEMBL8724532 0.85 RARB (0.41) LMNACYP3A4MAPT
SCHEMBL8724529 0.85 RARB (0.41) LMNACYP3A4MAPT
SCHEMBL10605267 0.76 SPHK1 (0.43) SLC6A3
SCHEMBL10605271 0.76 SPHK1 (0.43) SLC6A3
SCHEMBL10550758 0.75 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL10552991 0.75 SLC6A3 (0.42) SLC6A3
SCHEMBL10555841 0.74 LMNA (0.39) ALDH1A1LMNAMAPT
SCHEMBL8726273 0.74 KDM1A (0.39) HTR2BSLC6A3
SCHEMBL8726274 0.74 KDM1A (0.39) HTR2BSLC6A3

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
EP-0767772-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-04-16 EP disclosed
WO-1996000710-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-01-11 WO disclosed