SCHEMBL3745938

SCHEMBL3745938

C=CCCCCCC(=O)OC=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 3/20 0.57
ABCC4 O15439 1/20 0.57
TSHR P16473 4/20 0.43
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
CYP3A4 P08684 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTGS1 P23219 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL816008 0.88 ALDH1A1 (0.66) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL23200434 0.88 ALDH1A1 (0.66) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL821271 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL21065429 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL2141070 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL8333539 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL9621244 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL17335504 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL6937280 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL28377777 0.87 LMNA (0.45) ALDH1A1LMNAMAPTABCC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100287816-A1 Insect trap ABELBECK PARTNERS, LTD. (US) 2010-11-18 US disclosed
WO-2002083635-A1 PROCESS FOR THE PREPARTION OF ε-CAPROLACTAM DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP disclosed