SCHEMBL3716464

SCHEMBL3716464

CCCCCC[C@@H](C)Oc1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RECQL P46063 1/20 0.57
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LMNA P02545 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.45

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
SCHEMBL4602778 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8425121 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL25788052 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL28843221 0.88 KDM4E (0.55) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL7982231 0.88 KDM4E (0.55) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL3830542 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8421173 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL11044263 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8424428 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL17309764 0.87 KDM4E (0.58) ALDH1A1KDM4EKMT2AMEN1RECQL

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-2010112831-A1 LIQUID CRYSTAL ELASTOMER BEADS UNIVERSITY OF YORK (GB) 2010-10-07 WO disclosed