SCHEMBL20749199

SCHEMBL20749199

COC(=O)SC(OC1(C)CCCCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM4 P08173 1/20 0.37
HPGD P15428 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CETP P11597 2/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 2/20 0.35
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 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
SCHEMBL21881827 0.72 LMNA (0.42) KMT2ALMNAALDH1A1CHRM2CHRM1
SCHEMBL18744853 0.70 L3MBTL1 (0.41) KMT2ALMNACHRM2CHRM1CHRM3
SCHEMBL14556742 0.65 CHRM2 (0.41) KMT2ALMNAMEN1ALDH1A1CHRM2
SCHEMBL1107114 0.65 KMT2A (0.40) KMT2ALMNAMEN1ALDH1A1CHRM2
SCHEMBL6439828 0.63 KMT2A (0.39) KMT2ALMNAALDH1A1CHRM2CHRM1
SCHEMBL18802158 0.62 CHRM2 (0.42) KMT2ALMNAMEN1ALDH1A1CHRM2
SCHEMBL27410746 0.62 CHRM2 (0.44) KMT2ALMNAMEN1CHRM2CHRM1
SCHEMBL13564220 0.62 TSHR (0.47) KMT2ALMNAMEN1ALDH1A1CYP3A4
SCHEMBL7447216 0.62 KMT2A (0.40) KMT2ALMNAMEN1ALDH1A1CHRM2
Mandelic Acid, Methyl Ester SCHEMBL29214409 0.61 KMT2A (0.60) KMT2ALMNAMEN1ALDH1A1CHRM2

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-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed