SCHEMBL8076103

SCHEMBL8076103

C#CCCCCCCC1OC1CCCCCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 1/20 0.69
HMGCR P04035 4/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
PTPN7 P35236 4/20 0.41
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11579695 0.85 TSHR (0.57) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL829680 0.85 TSHR (0.57) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL829682 0.85 TSHR (0.57) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL829681 0.85 TSHR (0.57) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL9387161 0.83 TSHR (0.55) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL4964807 0.83 TSHR (0.55) HSD17B10LMNATSHRNFKB1PMP22
SCHEMBL740489 0.83 HSD17B10 (1.00) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL2985078 0.83 HSD17B10 (1.00) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL20293445 0.83 HSD17B10 (1.00) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL2803510 0.83 HSD17B10 (1.00) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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-1021551-A1 PLANT FATTY ACID HYDROXYLASE GENES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-07-26 EP disclosed
WO-1999018224-A1 PLANT FATTY ACID HYDROXYLASE GENES THE CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (US) 1999-04-15 WO disclosed