SCHEMBL19799400

SCHEMBL19799400

CCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDO1 P14902 2/20 0.45
PYCR1 P32322 1/20 0.42
CNR2 P34972 6/20 0.40
CNR1 P21554 4/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL26497194 1.00 L3MBTL1 (0.52) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL21871202 1.00 L3MBTL1 (0.52) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL20427966 0.92 CNR2 (0.48) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL21871123 0.92 CNR2 (0.48) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL139408 0.89 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL26397787 0.88 TSHR (0.44) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL18805967 0.86 TYR (0.44) L3MBTL1MAPK1TDP1IDO1PYCR1
SCHEMBL12922764 0.86 TYR (0.44) L3MBTL1MAPK1TDP1IDO1PYCR1
Hydrogen Peroxide SCHEMBL6280050 0.84 L3MBTL1 (0.52) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL3896543 0.83 LPL (0.52) L3MBTL1TSHRMAPK1ATMTDP1

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
US-20180024112-A1 SYSTEMS AND METHODS FOR DETECTING METAL ION CONCENTRATIONS IN SUBJECTS UNITED STATES DEPARTMENT OF ENERGY 2018-01-25 US disclosed