SCHEMBL2596750

SCHEMBL2596750

CCCCC(CC)COC(=O)CCc1ncc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 7/20 0.45
CA2 P00918 1/20 0.45
MAPK1 P28482 3/20 0.44
RECQL P46063 1/20 0.43
TBXAS1 P24557 2/20 0.42
LMNA P02545 4/20 0.42
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21725503 0.79 TBXAS1 (0.41) CYP3A4TSHRTDP1ALDH1A1CA2
SCHEMBL8041948 0.79 ALDH1A1 (0.50) ALDH1A1TBXAS1LMNAPRSS1PRSS2
SCHEMBL5162489 0.79 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3591993 0.78 MAPT (0.52) CYP3A4ALDH1A1TBXAS1LMNAHSD17B10
SCHEMBL28437058 0.78 ALDH1A1 (0.56) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19732268 0.76 TBXAS1 (0.42) CYP3A4TBXAS1
SCHEMBL44320 0.76 CYP3A4 (0.89) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31616943 0.75 TERT (0.37) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1336595 0.74 CYP3A4 (0.86) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3849332 0.74 CYP3A4 (0.93) CYP3A4TSHRTDP1ATMALDH1A1

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-2571908-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M Innovative Properties Company (US) 2013-03-27 EP disclosed
WO-2011146326-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed