SCHEMBL9715812

SCHEMBL9715812

C=C(C)COCCC[Si](Cl)(Cl)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.32
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
AGTR1 P30556 1/20 0.32
PTGIR P43119 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGDR Q13258 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 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
SCHEMBL4807090 0.88 GPR174 (0.32) GPR174NR1I2ADORA3DRD1TBXA2R
SCHEMBL8962433 0.87 GPR174 (0.31) GPR174NR1I2ADORA3DRD1TBXA2R
SCHEMBL17287251 0.84 GPR174 (0.33) GPR174NR1I2ADORA3DRD1TBXA2R
SCHEMBL3517110 0.81 GPR174 (0.31) GPR174MAPTMEN1KMT2ANPSR1
SCHEMBL2345675 0.78 SMN1; SMN2 (0.32) GPR174SMN1; SMN2TSHRRECQL
SCHEMBL393257 0.78 GPR174 (0.30) GPR174
SCHEMBL6115807 0.78 GPR174 (0.30) GPR174
SCHEMBL394444 0.77
SCHEMBL9715814 0.77 TDP1 (0.47) MAPTLMNAKDM4ETP53POLB
SCHEMBL21066717 0.77 TDP1 (0.31) GPR174NR1I2ADORA3DRD1TBXA2R

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
US-5098981-A POLYORGANOSILOXANE CHISSO CORPORATION (JP) 1992-03-24 US disclosed
EP-0349920-A2 Polyorganosiloxane Chisso Corporation (JP) 1990-01-10 EP disclosed
US-4759991-A Substrate, ferromagnetic metal thin film and lubricating coating layer of graft copolymer of silicon and radical polymerizable monomer TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-26 US disclosed