SCHEMBL9875401

SCHEMBL9875401

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSA P10619 1/20 0.32
ACHE P22303 1/20 0.32
ELANE P08246 1/20 0.32
CISD2 Q8N5K1 1/20 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
SCHEMBL22159580 0.86 TAS1R3 (0.43) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL9600530 0.84 NPSR1 (0.35) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL28407034 0.77 TAS1R3 (0.39) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL9576057 0.77 TAS1R3 (0.39) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL15876005 0.77 MEN1 (0.41) HPGDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9079293 0.76 HPGD (0.38) HPGDNPSR1MCOLN3TAS1R3TAS1R1
Lithium Ion SCHEMBL22159591 0.75 TAS1R3 (0.38) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL22159585 0.75 TAS1R3 (0.38) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL28929367 0.75 TAS1R3 (0.38) HPGDNPSR1MCOLN3TAS1R3TAS1R1
Water SCHEMBL9576110 0.75 TAS1R3 (0.38) HPGDNPSR1MCOLN3TAS1R3TAS1R1

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
US-4985472-A ACRYLATED POLYISOCYANATE MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-15 US disclosed
EP-0313665-A1 ACTINIC RADIATION-CURABLE COMPOSITION FOR CAST POLYMERIZATION AND PRODUCT OF CAST POLYMERIZATION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-03 EP disclosed