SCHEMBL29268656

SCHEMBL29268656

CCCCC(CC)COC(=O)CCNCCC(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.69
TSHR P16473 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
ATM Q13315 1/20 0.69
RECQL P46063 1/20 0.51
ALDH1A1 P00352 6/20 0.47
CA2 P00918 4/20 0.47
LMNA P02545 3/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
MAPK1 P28482 2/20 0.43
CA1 P00915 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18314802 0.94 CYP3A4 (0.73) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL18314760 0.94 CYP3A4 (0.73) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL17779514 0.93 CYP3A4 (0.71) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7775743 0.90 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27998474 0.88 TSHR (0.84) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27998690 0.88 TSHR (0.84) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27915028 0.88 TSHR (0.84) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27998417 0.88 TSHR (0.84) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27998707 0.88 TSHR (0.84) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL29203847 0.87 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118338888-A Surfactant composition for cosmetic material and cosmetic material 三洋化成工业株式会社 2024-07-12 CN disclosed