SCHEMBL8763563

SCHEMBL8763563

C=CC(=O)C1CCCC1=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 2/20 0.37
F3 P13726 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA7 P36544 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
RCE1 Q9Y256 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL7946799 0.81 HPGD (0.42) HPGDMAPTCYP1A2F3CHRNB2
SCHEMBL9577613 0.78 SLC6A2 (0.47) HPGDCYP1A2ALDH1A1NPC1RAB9A
SCHEMBL11461426 0.78 SLC6A2 (0.47) HPGDCYP1A2ALDH1A1NPC1RAB9A
SCHEMBL9577610 0.78 SLC6A2 (0.47) HPGDCYP1A2ALDH1A1NPC1RAB9A
SCHEMBL10742136 0.77 MCL1 (0.44) HPGDMAPTCYP1A2F3CHRNB2
SCHEMBL28426524 0.72 HPGD (0.44) ACHEHPGDMAPTCYP1A2F3
SCHEMBL10394104 0.70 SMN1; SMN2 (0.44) HPGDMAPTALDH1A1HTTNPC1
Styrene SCHEMBL4357897 0.69 HPGD (0.49) HPGDMAPTCYP1A2F3CHRNB2
SCHEMBL29007117 0.69 MCL1 (0.36) HPGDMAPTCYP1A2F3CHRNB2
SCHEMBL10405098 0.68 HPGD (0.55) HPGDMAPTCYP1A2F3CHRNB2

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-0628327-B1 Alpine ski with improved profile ROSSIGNOL SA (FR) 1997-07-09 EP claimed
EP-0459321-B1 Process for producing articles from long-fibre reinforced thermoplastic pellets HOECHST AG (DE) 1995-08-30 EP claimed