SCHEMBL4453866

SCHEMBL4453866

C[Si](C)(C)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.46
P2RX1 P51575 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RX3 P56373 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4450914 0.79 P2RX4 (0.45) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL10560178 0.79 P2RX4 (0.41) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL47007 0.75 KDM4E (0.55) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL31067286 0.75 KDM4E (0.55) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
Hydrogen Sulfide SCHEMBL28845788 0.73 KDM4E (0.53) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL10586348 0.70 P2RX4 (0.48) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL3974908 0.70 P2RX4 (0.48) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL13150242 0.70 P2RX4 (0.48) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL20308266 0.70 P2RX4 (0.48) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL19175897 0.70 P2RX4 (0.48) P2RX4P2RX1MAPTSMN1; SMN2NPSR1

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
WO-2023080071-A1 METHOD FOR PRODUCING 4-HYDROXYBUTYL ALDEHYDE, METHOD FOR PRODUCING GAMMA BUTYROLACTONE, METHOD FOR PRODUCING N-METHYL-2-PYRROLIDONE, AND COMPOUND 株式会社レゾナック 2023-05-11 WO disclosed
US-7563843-B2 Flame retardant silicone compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-7563843-B2 Flame retardant silicone compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20030220448-A1 Flame retardant silicone compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-11-27 US disclosed