SCHEMBL5596038

SCHEMBL5596038

CCOCNCCCCCCNCOCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM1A O60341 3/20 0.37
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.33
EPHX1 P07099 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
S1PR2 O95136 4/20 0.31
S1PR4 O95977 4/20 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
SCHEMBL14275234 0.93 TSHR (0.55) TSHRALDH1A1EPHX1THRBADH1B
SCHEMBL16091260 0.90 TSHR (0.57) TSHRALDH1A1CYP2C19CYP1A2EPHX1
SCHEMBL14275233 0.87 KDM4E (0.42) TSHRALDH1A1CYP2C19CYP1A2KDM4E
SCHEMBL8382688 0.87 CA12 (0.50) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL28782488 0.86
SCHEMBL27253187 0.84 KDM4E (0.47) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL28323111 0.82
SCHEMBL21147761 0.82
SCHEMBL2362892 0.82 ADRA1A (0.48) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL12605236 0.81

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802700-A2 LOW-VISCOSITY, RADIATION-CURABLE FORMULATION FOR PRODUCING ADAPTIVE EAR PIECES Dreve Otoplastik GmbH (DE) 2007-07-04 EP disclosed
WO-2006042514-A2 LOW-VISCOSITY, RADIATION-CURABLE FORMULATION FOR PRODUCING ADAPTIVE EAR PIECES DREVE OTOPLASTIK GMBH (DE) 2006-04-27 WO disclosed