SCHEMBL9064848

SCHEMBL9064848

CCCCC(CC)COC(=O)CCN(CC)CC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.71
TSHR P16473 3/20 0.71
ATM Q13315 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
RECQL P46063 1/20 0.52
ALDH1A1 P00352 5/20 0.48
CA2 P00918 3/20 0.48
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 1/20 0.41
MAPT P10636 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL15015605 0.92 CYP3A4 (0.73) CYP3A4TSHRATMTDP1RECQL
SCHEMBL5138591 0.90 CYP3A4 (0.69) CYP3A4TSHRATMTDP1RECQL
SCHEMBL27268370 0.88 CYP3A4 (0.68) CYP3A4TSHRATMTDP1RECQL
SCHEMBL27266900 0.88 CYP3A4 (0.68) CYP3A4TSHRATMTDP1RECQL
SCHEMBL427850 0.88 CYP3A4 (0.68) CYP3A4TSHRATMTDP1RECQL
SCHEMBL28527517 0.87 CYP3A4 (0.66) CYP3A4TSHRATMTDP1RECQL
SCHEMBL5137961 0.87 CYP3A4 (0.66) CYP3A4TSHRATMTDP1RECQL
SCHEMBL9942321 0.87 CYP3A4 (0.66) CYP3A4TSHRATMTDP1RECQL
SCHEMBL27268115 0.87 CYP3A4 (0.66) CYP3A4TSHRATMTDP1RECQL
SCHEMBL11668677 0.86 CYP3A4 (0.73) CYP3A4TSHRATMTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612310-B1 PROCESS FOR THE MANUFACTURE OF CINNAMIC ACID DERIVATIVES GIVAUDAN ROURE INT (CH) 1996-10-16 EP disclosed
US-5457226-A Process for the manufacture of cinnamic acid derivatives GIVAUDAN-ROURE CORPORATION (US) 1995-10-10 US disclosed
EP-0612310-A1 PROCESS FOR THE MANUFACTURE OF CINNAMIC ACID DERIVATIVES. GIVAUDAN ROURE INT (CH) 1994-08-31 EP disclosed
WO-1994005621-A1 PROCESS FOR THE MANUFACTURE OF CINNAMIC ACID DERIVATIVES GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1994-03-17 WO disclosed