SCHEMBL11069820

SCHEMBL11069820

CCCCC(C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.44
KMT2A Q03164 2/20 0.44
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MAPT P10636 2/20 0.41
KCNQ2 O43526 1/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40

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
SCHEMBL29418186 0.95 SOAT1 (0.47) SOAT1KMT2AMAPTKCNQ2PPARA
SCHEMBL8366593 0.90 KMT2A (0.46) SOAT1KMT2AMAPTKCNQ2PPARA
SCHEMBL5694338 0.87 KMT2A (0.46) KMT2AMAPTKCNQ2PPARAPPARG
SCHEMBL11242992 0.86 DRD3 (0.45) SOAT1KMT2AMAPTKCNQ2KDM4E
SCHEMBL11254982 0.86 SCN1A (0.42) SOAT1KMT2AMAPTKCNQ2MEN1
SCHEMBL248246 0.84 KMT2A (0.44) KMT2AMAPTPPARGKDM4EALDH1A1
SCHEMBL11261260 0.83 KDM4E (0.50) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL9294341 0.83 KCNQ2 (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL27520955 0.83 CYSLTR2 (0.45) KMT2AMMEMAPTPPARAPPARG
SCHEMBL10976123 0.82 CNR2 (0.42) KMT2AMMEMAPTPPARAPPARG

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-4453005-A Process for preparing substituted phenylalkenoic acids MERCK FROSST CANADA, INC. (CA) 1984-06-05 US disclosed