SCHEMBL7941808

SCHEMBL7941808

C=C(CC(C=Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
GRIK1 P39086 4/20 0.42
CNR2 P34972 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
PAM P19021 2/20 0.40
TET2 Q6N021 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL5480228 0.83 CYP1A2 (0.53) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL8735159 0.82 CYP1A2 (0.45) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL1791773 0.79 CYP1A2 (0.50) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL29209801 0.78 CYP1A2 (0.51) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL27487715 0.76 CNR2 (0.54) CYP1A2GRIK1CNR2PAMALDH1A1
SCHEMBL11069954 0.76 CYP1A2 (0.53) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL27342140 0.76 CYP1A2 (0.53) CYP1A2GRIK1CNR2HAO1PAM
SCHEMBL4879288 0.75 MEN1 (0.45) CYP1A2CNR2HAO1PAMALDH1A1
SCHEMBL6406292 0.75 ALDH1A1 (0.51) CYP1A2CNR2PAMALDH1A1HDAC3
SCHEMBL9632505 0.75 PPARG (0.53) CYP1A2CNR2HDAC3HDAC4HDAC1

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
US-6180307-B1 Layered polymer particles, toner formed therefrom and methods for forming the same XEROX CORPORATION 2001-01-30 US disclosed