SCHEMBL8943040

SCHEMBL8943040

CCOC(=O)C(O)(CC(=O)O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
THRB P10828 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MMP8 P22894 1/20 0.35
CYP4F2 P78329 2/20 0.34

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
SCHEMBL493862 0.84 GAA (0.43) POLBNPSR1ALDH1A1LMNAHSD17B10
SCHEMBL28869251 0.81 ALDH1A1 (0.44) PIN1ALDH1A1LMNAHSD17B10PKM
SCHEMBL2813452 0.81 HMGCR (0.42) ALDH1A1KDM4EHMGCRCHRM1TBXA2R
SCHEMBL27614238 0.78 MEN1 (0.44) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL2557186 0.77 ALDH1A1 (0.48) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL16019075 0.75 ALDH1A1 (0.60) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL6667303 0.75 HMGCR (0.46) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL9630686 0.74 MEN1 (0.42) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL3097767 0.74 EGLN1 (0.42) POLBNPSR1PIN1ALDH1A1LMNA
SCHEMBL27918078 0.74 MEN1 (0.48) POLBNPSR1PIN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4211678-A None JP disclosed
EP-0467721-B1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO (JP) 1996-03-27 EP disclosed
US-5480580-A COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY MITSUBISHI RAYON COMPANY LTD. (JP) 1996-01-02 US disclosed
JP-H04211678-A OPTICALLY ACTIVE SUBSTANCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO LTD 1992-08-03 JP disclosed
EP-0467721-A1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO., LTD (JP) 1992-01-22 EP disclosed