SCHEMBL8963310

SCHEMBL8963310

CCCCc1ccc(P)c(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
HTR1A P08908 2/20 0.43
HPGD P15428 2/20 0.42
HTR2A P28223 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
TLR8 Q9NR97 6/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TYR P14679 1/20 0.40
GPR3 P46089 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL8963311 0.84 SKP2 (0.47) SKP2HTR1AHPGDHTR2ANPC1
SCHEMBL9485320 0.81 SKP2 (0.52) SKP2HTR1AHPGDHTR2ANPC1
SCHEMBL28004760 0.79 SKP2 (0.50) SKP2HTR1AHPGDHTR2ANPC1
SCHEMBL6288736 0.78 SKP2 (0.46) SKP2HTR1AHPGDHTR2ANPC1
SCHEMBL12656297 0.78 KMT2A (0.41) HPGDHTTRAB9ATLR8TYR
SCHEMBL5054848 0.78 SKP2 (0.48) SKP2HTR1AHPGDHTR2ANPC1
SCHEMBL11366320 0.78 SKP2 (0.58) SKP2HTR1AHPGDNPC1MAPK1
SCHEMBL7203143 0.77 HPGD (0.47) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1024663 0.76 HPGD (0.57) SKP2HPGDNPC1MAPK1HTT
SCHEMBL20779043 0.76 SKP2 (0.47) SKP2HTR1AHPGDHTR2ANPC1

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
CN-100469814-C Polyester resin compositions, catalyst for polyester production, polyester film, and magnetic recording medium TORAY INDUSTRIES (JP) 2009-03-18 CN disclosed
CN-1703440-A Polyester resin compositions, catalyst for polyester production, polyester film, and magnetic recording medium TORAY INDUSTRIES (JP) 2005-11-30 CN disclosed
US-5481049-A REACTING CONJUGATED DIENE AND WATER IN PRESENCE OF CARBON DIOXIDE, USING PALLADIUM COMPOUND AND A FREE PHOSPHINE AS CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-02 US disclosed