SCHEMBL9826765

SCHEMBL9826765

c1ccc(CCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
MAOB P27338 2/20 0.56
FFAR1 O14842 1/20 0.56
TAAR1 Q96RJ0 1/20 0.54
HDAC2 Q92769 2/20 0.53
FDFT1 P37268 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
MAOA P21397 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
HDAC1 Q13547 1/20 0.52
KCNH2 Q12809 1/20 0.50
MME P08473 1/20 0.49
HSD11B1 P28845 1/20 0.48

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
SCHEMBL30869989 0.92 HDAC2 (0.60) HTR2AMAOBFFAR1TAAR1HDAC2
SCHEMBL5551465 0.89 FFAR1 (0.60) HTR2AMAOBFFAR1TAAR1MAOA
SCHEMBL9069707 0.89 HTR2A (0.75) HTR2AMAOBHDAC2SIGMAR1MAOA
SCHEMBL15347959 0.86 HTR2A (0.71) HTR2AMAOBFFAR1HDAC2SIGMAR1
SCHEMBL28353517 0.86 HTR2A (0.64) HTR2AMAOBTAAR1HDAC2SIGMAR1
Tannin Pyrogallol SCHEMBL29187612 0.86 ALDH1A1 (0.56) HTR2AMAOBFFAR1TAAR1MAOA
SCHEMBL54347 0.86 HTR2A (0.70) HTR2AMAOBTAAR1HDAC2SIGMAR1
SCHEMBL24372592 0.83 FFAR1 (0.50) HTR2AMAOBFFAR1TAAR1HDAC2
SCHEMBL5540653 0.83 FFAR1 (0.55) FFAR1TAAR1HDAC2FDFT1MMP12
SCHEMBL8623391 0.83 LTA4H (0.56) FFAR1TAAR1HDAC2FDFT1MMP12

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-0255243-B1 AZOLE DERIVATIVES USEFUL FOR CONTROLLING PLANT DISEASES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-29 EP claimed
EP-0255243-A1 Azole derivatives useful for controlling plant diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1988-02-03 EP claimed