SCHEMBL5565087

SCHEMBL5565087

[CH2]CCCCCCCCCC(C)(C)CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 6/20 0.37
FDPS P14324 9/20 0.35
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 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
SCHEMBL9517663 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL28927993 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL11146567 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL25384575 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL25384828 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL25384437 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL25385601 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL25386266 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL5462951 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL27476664 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSFFAR1

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-1751154-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B] INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS Tibotec Pharmaceuticals Ltd. (IE) 2007-02-14 EP disclosed
WO-2005111034-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO’3,2-B! INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO disclosed