SCHEMBL9518749

SCHEMBL9518749

O=C(O)C1(CO)CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.30
HDAC4 P56524 2/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL28431200 0.82 KIF11 (0.37) KIF11ALDH1A1THRBTDP1LMNA
SCHEMBL9155004 0.76 THRB (0.37) KIF11ALDH1A1HTTNPSR1THRB
Hydrochloric Acid SCHEMBL28933194 0.75 THRB (0.36) KIF11ALDH1A1HTTNPSR1THRB
SCHEMBL461337 0.75 THRB (0.40) KIF11ALDH1A1HTTNPSR1THRB
SCHEMBL4346969 0.73 THRB (0.35) KIF11THRBTDP1AKR1C1HDAC4
SCHEMBL9899733 0.73 THRB (0.35) KIF11NPSR1THRBTDP1AKR1C1
SCHEMBL9302017 0.73 THRB (0.35) KIF11ALDH1A1THRBTDP1AKR1C1
SCHEMBL8491987 0.73 TDP1 (0.35) KIF11ALDH1A1THRBTDP1AKR1C1
SCHEMBL8489491 0.73 THRB (0.35) KIF11THRBTDP1AKR1C1HDAC4
SCHEMBL28038790 0.72 GAA (0.32) KIF11AKR1C1HDAC4

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
JP-5163198-A None JP disclosed
JP-H05163198-A PRODUCTION PROCESS FOR 1,4-NAPHTHALENE-DICARBOXYLIC ACID OR 1-HYDROXYMETHYL-4-NAPHTHOIC ACID COSMO SOGO KENKYUSHO:KK 1993-06-29 JP disclosed