SCHEMBL20537402

SCHEMBL20537402

[CH2]CC1OC(C)(C)OC1c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRL1 P41146 2/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
CYP2D6 P10635 3/20 0.31
SLC6A3 Q01959 2/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL18176779 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL30444404 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL30443726 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL15553159 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL16808544 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL16795820 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL30443922 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL16808668 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL15538747 0.84 TP53 (0.38) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL16808428 0.81 TP53 (0.36) KDM1ARCOR1HTR2AHTR2CHTR2B

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-3079686-B1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO PHARM SOLUTIONS CO LTD (KR) 2018-10-24 EP claimed