SCHEMBL11047691

SCHEMBL11047691

CC(OC(=O)CCCC(=O)O)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
POLB P06746 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TSHR P16473 2/20 0.40
MIF P14174 1/20 0.39
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL11047695 0.94 ALOX5 (0.41) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL28453165 0.82 ALDH1A1 (0.41) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL30322580 0.80 ALOX5 (0.42) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL14073828 0.78 ALOX5 (0.41) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL19182 0.75 FFAR1 (0.50) ALDH1A1KDM4EMAPTTSHRCYP2C19
Tetrahydrofuran SCHEMBL28992325 0.74 HPGD (0.38) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL27884835 0.74 FFAR1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1258862 0.73 ALOX5 (0.53) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL27541725 0.72 KMT2A (0.42) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL27516151 0.72 TBXA2R (0.47) KMT2AALDH1A1KDM4EMAPTTSHR

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-4478962-A WITH ACID CURABLE FURFURYL ALCOHOL PREPOLYMERS CL INDUSTRIES, INC. (US) 1984-10-23 US disclosed