SCHEMBL4092874

SCHEMBL4092874

C[Si](C)(C)CNC(N)=O.[KH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.32
CRBN Q96SW2 1/20 0.32
TSHR P16473 3/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL764270 0.97
SCHEMBL2107299 0.73 TSHR (0.40) TDP1POLBTSHRLMNA
SCHEMBL2460035 0.73 TSHR (0.35) TDP1TSHRLMNA
SCHEMBL14441639 0.72
SCHEMBL2461687 0.70 ALOX15 (0.34) TDP1ALDH1A1
SCHEMBL4390604 0.70 KDM4E (0.37) TDP1TSHRALDH1A1
SCHEMBL728026 0.70 TSHR (0.36) TDP1TSHRLMNA
SCHEMBL8500960 0.68 EPHX1 (0.41) TSHRALDH1A1
SCHEMBL4396865 0.68 MEN1 (0.50) TDP1TSHRLMNACYP1A2ALDH1A1
SCHEMBL16653877 0.67 NPC1 (0.33) TDP1

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-7537918-B2 Process of producing polyunsaturated fatty acids with yeasts through the incorporation of olefinic or acetylenic substrates CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2009-05-26 US disclosed
US-20050227339-A1 Process of producing polyunsaturated fatty acids with yeasts through the incorporation of olefinic or acetylenic substrates CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-10-13 US disclosed
EP-1557471-A1 METHOD OF PRODUCING POLYUNSATURATED FATTY ACIDS WITH YEASTS THROUGH THE INCORPORATION OF OLEFINIC OR ACETYLENIC SUBSTRATES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-07-27 EP disclosed