SCHEMBL18802158

SCHEMBL18802158

COC(=O)CC(OC1(O)CCCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL20749122 0.83 P2RX7 (0.37) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL28312019 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL7624631 0.76 KCNA5 (0.50) KMT2AKCNA5ALDH1A1MEN1HPGD
SCHEMBL27539902 0.73 KCNA5 (0.48) KMT2AKCNA5ALDH1A1MEN1HPGD
SCHEMBL28045513 0.72 KCNA5 (0.47) KMT2AKCNA5ALDH1A1MEN1HPGD
SCHEMBL6230924 0.72 PABPC1 (0.50) KMT2AKCNA5ALDH1A1PABPC1APOBEC3A
SCHEMBL3824781 0.72 KCNA5 (0.50) KMT2AKCNA5ALDH1A1HPGD
SCHEMBL28008254 0.72 FFAR1 (0.50) KMT2AKCNA5ALDH1A1
SCHEMBL18801986 0.71 LMNA (0.36) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL18802260 0.71 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4LMNA

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
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed