SCHEMBL5087790

SCHEMBL5087790

CC1(C)Oc2ccccc2C(N2CCCC2=O)=C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
BRDT Q58F21 1/20 0.36
GPR174 Q9BXC1 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 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
Dimethylamine SCHEMBL9550579 0.81 KDM4E (0.38) TSHRSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL9581630 0.81 CCR6 (0.40) TSHRSMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL9665033 0.81 NPC1 (0.35) TSHRSMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL9582596 0.81 TP53 (0.40) TSHRSMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL9581427 0.81 KDM4E (0.39) TSHRSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL10990741 0.80 ABCC9 (0.48) TSHRSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL9582054 0.80 USP2 (0.36) TSHRSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL9664058 0.80 ALDH1A1 (0.39) TSHRSMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL9664156 0.80 HDAC3 (0.34) TSHRSMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL9755660 0.79 ABCC9 (0.37) TSHRSMN1; SMN2PDK2ALDH1A1HPGD

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
WO-2008099175-A1 CAMP DEPENDENT INDUCTION OF AUTOPHAGY CAMBRIDGE ENTERPRISE LIMITED (GB) 2008-08-21 WO disclosed