SCHEMBL8943039

SCHEMBL8943039

CC1(C)CCC(CO)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
PIK3CD O00329 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
SCHEMBL8943459 0.81 L3MBTL1 (0.36) KDM4EL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL8942920 0.75 CCR5 (0.32) KDM4ENPC1SMN1; SMN2LMNA
SCHEMBL14275665 0.69 KDM4E (0.30) KDM4E
Hydrochloric Acid SCHEMBL9068147 0.68
Hydrochloric Acid SCHEMBL9068149 0.68
SCHEMBL6356580 0.68 KDM4E (0.31) KDM4E
SCHEMBL11307797 0.67 GPBAR1 (0.33) NPC1SMN1; SMN2LMNA
SCHEMBL3122943 0.65 L3MBTL1 (0.49) KDM4EL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL6342823 0.65 CYP19A1 (0.31)
SCHEMBL2514383 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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