SCHEMBL11534347

SCHEMBL11534347

CCN(C(=O)CCCCCO)C(C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 3/20 0.36
EPHX2 P34913 1/20 0.36
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9633499 0.73 EPHX2 (0.42) LMNAEPHX2ALDH1A1HSD17B10MEN1
SCHEMBL9357661 0.72 LMNA (0.70) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL12988170 0.72 EPHX2 (0.65) SMN1; SMN2LMNAEPHX2BCHEACHE
SCHEMBL25836455 0.72 EPHX2 (0.56) GPR84FFAR1FFAR4LMNAEPHX2
SCHEMBL9597315 0.70 LMNA (0.73) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL19248817 0.69 GPR84 (0.43) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL27530726 0.68 EPHX2 (0.45) FFAR1FFAR4EPHX2CES2CES1
Dodecanol SCHEMBL9777570 0.68 LMNA (0.61) SMN1; SMN2GPR84FFAR1FFAR4LMNA
SCHEMBL5503882 0.68 EPHX2 (0.49) GPR84FFAR1FFAR4EPHX2ALDH1A1
SCHEMBL5503878 0.68 EPHX2 (0.49) GPR84FFAR1FFAR4EPHX2ALDH1A1

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-4137305-A TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4137304-A TOPICAL OR ORAL ADMINISTERED TOBACCO PRODUCT WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4136164-A FOR USE IN FOODS, TOPICAL PREPARATIONS, AND TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-23 US disclosed