SCHEMBL9600530

SCHEMBL9600530

Cc1cc(C)c(C(=O)OP(=O)(OC(C)C)C(C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
HMGCR P04035 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL9875401 0.84 HPGD (0.36) NPSR1HPGDMCOLN3MAPTKMT2A
SCHEMBL22159580 0.76 TAS1R3 (0.43) NPSR1HPGDMCOLN3KMT2ACYP2C9
SCHEMBL9576057 0.74 TAS1R3 (0.39) NPSR1HPGDMCOLN3KMT2AL3MBTL1
SCHEMBL28407034 0.74 TAS1R3 (0.39) NPSR1HPGDMCOLN3KMT2AL3MBTL1
SCHEMBL9079293 0.73 HPGD (0.38) NPSR1HPGDMCOLN3MAPTKMT2A
SCHEMBL22159585 0.73 TAS1R3 (0.38) NPSR1HPGDMCOLN3KMT2AL3MBTL1
Lithium Ion SCHEMBL22159591 0.73 TAS1R3 (0.38) NPSR1HPGDMCOLN3KMT2AL3MBTL1
SCHEMBL28929367 0.73 TAS1R3 (0.38) NPSR1HPGDMCOLN3KMT2AL3MBTL1
Water SCHEMBL9576110 0.73 TAS1R3 (0.38) NPSR1HPGDMCOLN3KMT2AL3MBTL1
SCHEMBL8490292 0.72 CA12 (0.52) NPSR1HPGDMCOLN3MAPTCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313665-B1 ACTINIC RADIATION-CURABLE COMPOSITION FOR CAST POLYMERIZATION AND PRODUCT OF CAST POLYMERIZATION MITSUBISHI RAYON CO., LTD. (JP) 1993-02-03 EP disclosed