SCHEMBL1657285

SCHEMBL1657285

COOCC=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2A P28223 3/20 0.46
TRPA1 O75762 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PAM P19021 1/20 0.44
OPRM1 P35372 1/20 0.43
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1657284 1.00 IDO1 (0.59) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL452602 0.87 IDO1 (0.68) IDO1MEN1KMT2AHTR2APAM
SCHEMBL452603 0.87 IDO1 (0.68) IDO1MEN1KMT2AHTR2APAM
SCHEMBL792985 0.83 IDO1 (0.63) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL7592958 0.83 IDO1 (0.63) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL58240 0.83 IDO1 (0.63) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL13957704 0.82 IDO1 (0.57) IDO1MEN1KMT2AHTR2APAM
SCHEMBL7923411 0.82 IDO1 (0.57) IDO1MEN1KMT2AHTR2APAM
SCHEMBL7923408 0.82 IDO1 (0.57) IDO1MEN1KMT2AHTR2APAM
SCHEMBL430935 0.78 IDO1 (0.68) IDO1HTR2APAMMAOB

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
EP-1071440-A1 NOVEL SYNERGISTIC COMPOSITIONS CONTAINING AROMATIC COMPOUNDS AND TERPENOIDS PRESENT IN ALPINIA GALANGA Ida Development A/S (DK) 2001-01-31 EP claimed
WO-1999053935-A1 NOVEL SYNERGISTIC COMPOSITIONS CONTAINING AROMATIC COMPOUNDS AND TERPENOIDS PRESENT IN ALPINIA GALANGA IDA DEVELOPMENT A/S (DK) 1999-10-28 WO claimed
WO-2011044434-A2 A COMPOSITION AND A METHOD OF TREATING CNS DISORDERS AND HYPERPIGMENTATION SAMI LABS LIMITED (IN) 2011-04-14 WO disclosed