SCHEMBL17421663

SCHEMBL17421663

CC(C)OCCOCCOCCOc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM4 Q14833 1/20 0.39
GRM2 Q14416 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRA5 P31644 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRK3 P35626 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
SCHEMBL16511359 0.95 TSHR (0.43) TSHRMEN1HPGDKMT2AGRM4
SCHEMBL27333271 0.86 NPC1 (0.44) TSHRHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL4190714 0.80 KDM4E (0.50) TSHRMEN1HPGDKMT2ANPC1
SCHEMBL14884315 0.79 NCF1 (0.42) TSHRHPGDGRM4NPC1SMN1; SMN2
SCHEMBL29469520 0.77 MEN1 (0.41) TSHRMEN1HPGDKMT2ANPC1
SCHEMBL22190243 0.77 APP (0.44) HPGDNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL28074874 0.77 NPC1 (0.42) TSHRHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL22190232 0.77 MEN1 (0.41) TSHRMEN1HPGDKMT2ANPC1
SCHEMBL15911434 0.76 NPC1 (0.43) TSHRHPGDGRM2NPC1SMN1; SMN2
SCHEMBL9266875 0.75 LTA4H (0.43) HPGDKMT2AGRM2NPC1SMN1; SMN2

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-20160009830-A1 SUPPORTED POLYOLEFIN CATALYST AND PREPARATION AND APPLICATION THEREOF PETROCHINA COMPANY LIMITED (CN) 2016-01-14 US disclosed