SCHEMBL5157939

SCHEMBL5157939

C=CC(C)(C(C)CC=CC)C(C)CCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
NFKB1 P19838 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CMKLR1 Q99788 1/20 0.34

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
SCHEMBL11374135 0.71 GRIK1 (0.53) CMKLR1FOLH1GRIK1GRIK2
SCHEMBL27823528 0.69 LMNA (0.43) NFKB1TSHRCYP1A2ALDH1A1FFAR1
SCHEMBL9540341 0.67 GABRP (0.40) NFKB1TSHRCYP1A2ALDH1A1FFAR1
SCHEMBL15447174 0.67 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL772677 0.67 MEN1 (0.32) MEN1KMT2ACYP3A4
SCHEMBL772676 0.67 MEN1 (0.32) MEN1KMT2ACYP3A4
SCHEMBL31607266 0.65 TOP1 (0.44) BLMCYP2C19SLC6A2KMT2AGMNN
SCHEMBL6552465 0.65 GRIK1 (0.50) BLMCYP2C19NFKB1TSHRGMNN
SCHEMBL16620222 0.65 CTSK (0.38)
SCHEMBL23576313 0.64 TSHR (0.47) BLMCYP2D6CYP2C19NFKB1SLC6A2

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-1753289-A1 ANTIMICROBIAL COMPOSITION MICAP PLC. (GB) 2007-02-21 EP disclosed
WO-2005104842-A1 ANTIMICROBIAL COMPOSITION MICAP PLC (GB) 2005-11-10 WO disclosed