SCHEMBL17857312

SCHEMBL17857312

COc1cc(/C=C/Cc2ccc(OCC3CO3)c(OC)c2)ccc1OCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
PTGER2 P43116 3/20 0.46
PTGER3 P43115 3/20 0.46
APP P05067 1/20 0.42
DRD4 P21917 3/20 0.41
PYGL P06737 1/20 0.41
FDPS P14324 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17843670 0.92 TUBB1 (0.40) PTGER4PTGER2PTGER3DRD4PYGL
SCHEMBL17843667 0.92 TUBB1 (0.40) PTGER4PTGER2PTGER3DRD4PYGL
SCHEMBL17857336 0.90 ALDH1A1 (0.46) DRD4ALDH1A1PPARGPPARDPPARA
SCHEMBL5048202 0.83 POLB (0.56) ALDH1A1POLBKDM4EMEN1LMNA
SCHEMBL11595073 0.83 POLB (0.56) ALDH1A1POLBKDM4EMEN1LMNA
SCHEMBL31596324 0.83 POLB (0.56) ALDH1A1POLBKDM4EMEN1LMNA
SCHEMBL11594564 0.83 POLB (0.56) ALDH1A1POLBKDM4EMEN1LMNA
SCHEMBL9859946 0.82 ALDH1A1 (0.63) ALDH1A1PPARGPPARDPPARAPOLB
SCHEMBL17857310 0.82 TUBB1 (0.50) FDPSALDH1A1MEN1LMNAMAPT
SCHEMBL17843669 0.81 TUBB1 (0.47) APPSMN1; SMN2

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
WO-2016097657-A2 POLYAROMATIC DIMERS, METHOD FOR PREPARING SAME AND USE OF SAME CENTRE DE COOPÉRATION INTERNATIONAL EN RECHERCHE AGRONOMIQUE POUR LE DÉVELOPPEMENT (CIRAD) (FR) 2016-06-23 WO disclosed