SCHEMBL4566478

SCHEMBL4566478

CCCCOC(=O)n1cccn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.46
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
ALOX15 P16050 1/20 0.43
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.37

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
Hydrochloric Acid SCHEMBL4777090 0.82 ELANE (0.45) NOS1ALDH1A1TSHRELANE
Hydrochloric Acid SCHEMBL3817658 0.82 ELANE (0.45) NOS1ALDH1A1TSHRELANE
SCHEMBL19436518 0.80 NOS1 (0.36) NOS1KMT2AF2ELANE
SCHEMBL4259465 0.78 NOS1 (0.56) NOS1L3MBTL1TSHRTDP1
SCHEMBL20745704 0.77 NOS1 (0.45) NOS1ELANE
SCHEMBL21995202 0.73 THRB (0.46) KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL4366139 0.73 ALDH1A1 (0.48) KMT2ABCHEALDH1A1L3MBTL1TSHR
SCHEMBL164431 0.71 KMT2A (0.52) KMT2AF2ALOX15BCHEALDH1A1
SCHEMBL29991043 0.71 KMT2A (0.52) KMT2AF2ALOX15BCHEALDH1A1
SCHEMBL4748490 0.71 KMT2A (0.52) NOS1KMT2AF2ALOX15BCHE

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-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP disclosed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO disclosed