SCHEMBL3635136

SCHEMBL3635136

CCOC(=O)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
GAA P10253 4/20 0.57
RECQL P46063 1/20 0.57
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.52
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.50
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2223429 1.00 TSHR (0.63) TSHRALDH1A1POLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL19031025 0.98 TSHR (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL11402027 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL21138457 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL675456 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL8710504 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1292196 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL11488922 0.98 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
Bromide SCHEMBL31591109 0.95 ALDH1A1 (0.59) TSHRALDH1A1POLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1770298 0.95 ALDH1A1 (0.59) TSHRALDH1A1POLBSMN1; SMN2HTT

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-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed