SCHEMBL28068348

SCHEMBL28068348

CCc1c(C(=O)O)c(O)c2ccccc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
FABP3 P05413 1/20 0.42
LMNA P02545 4/20 0.42
DHODH Q02127 3/20 0.42
PDE10A Q9Y233 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 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
SCHEMBL28068483 0.90 PRNP (0.40) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL28068267 0.87 FABP4 (0.45) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL28068260 0.86 AR (0.46) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL7664295 0.84 LMNA (0.45) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL28184860 0.82 PDE10A (0.47) KDM4EALDH1A1HPGDFABP4FABP3
SCHEMBL28068357 0.81 KMT2A (0.45) KDM4EALDH1A1HPGDFABP4FABP5
SCHEMBL8966505 0.80 HMGB1 (0.41) KDM4EALDH1A1HPGDPOLBDHODH
SCHEMBL28068405 0.78 LDHA (0.40) KDM4EALDH1A1HPGDFABP4FABP5
SCHEMBL2356921 0.78 DHODH (0.50) KDM4ERCE1ALDH1A1HPGDFABP4
SCHEMBL10905133 0.78 LDHA (0.43) KDM4EALDH1A1HPGDPDE10ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566110-B A kind of synthetic method of polysubstituted 1 naphthols and its derivative 南开大学 2017-10-20 CN disclosed
CN-105566110-A Synthesis method of polysubstituted 1-naphthol and derivatives thereof UNIV NANKAI 2016-05-11 CN disclosed