SCHEMBL6544591

SCHEMBL6544591

CCCCCCCC/C=C\CCCCCCCCC(CCCCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
FAAH O00519 4/20 0.44
EPHX2 P34913 2/20 0.44
CES1 P23141 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1I2 O75469 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL9283914 1.00 SOAT2 (0.47) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL9283903 1.00 SOAT2 (0.47) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL6681486 0.89 NR1I2 (0.49) NR1I2
SCHEMBL21633771 0.89 NR1I2 (0.49) NR1I2
SCHEMBL11369217 0.89 NR1I2 (0.49) NR1I2
SCHEMBL23849703 0.89 NR1I2 (0.49) NR1I2
SCHEMBL21633686 0.89 NR1I2 (0.49) NR1I2
SCHEMBL21633712 0.89 NR1I2 (0.49) NR1I2
SCHEMBL6680917 0.89 NR1I2 (0.49) NR1I2
SCHEMBL20291563 0.89 NR1I2 (0.49) NR1I2

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-1292828-B1 PARTICLES AND THEIR USE IN MOLECULAR IMPRINTING PROMETIC BIOSCIENCES LTD (GB) 2004-10-13 EP disclosed
US-20030186328-A1 Particles and their use in molecular imprinting PROMETIC BIOSCIENCES LTD. (GB) 2003-10-02 US disclosed