SCHEMBL9178103

SCHEMBL9178103

CC(C)(C)c1ccc2cc(-c3cccc(OP(O)O)c3-c3ccc4ccccc4c3)c(C(C)(C)C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
P2RY1 P47900 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30

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
SCHEMBL9176606 0.90 GPR84 (0.31) GPR84SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL9171417 0.89 NR1I2 (0.32) STK10SLK
SCHEMBL9175360 0.86 GPR84 (0.37) GPR84
SCHEMBL9174831 0.83 NR1I2 (0.31)
SCHEMBL10935184 0.82 CA2 (0.31)
SCHEMBL9175979 0.80 GPR84 (0.35) GPR84
SCHEMBL9460621 0.79 NR1I2 (0.36)
SCHEMBL8928187 0.78
SCHEMBL9175770 0.76 GPR84 (0.34) GPR84
SCHEMBL11335843 0.76 ALDH1A1 (0.36) STK10SLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503564-B1 Method for producing an aldehyde MITSUBISHI CHEM CORP (JP) 1995-06-14 EP disclosed
US-5306839-A Ligands for hydroformylation catalysts MITSUBISHI KASEI CORPORATION (JP) 1994-04-26 US disclosed
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0503564-A2 Method for producing an aldehyde Mitsubishi Chemical Corporation (JP) 1992-09-16 EP disclosed