SCHEMBL16902898

SCHEMBL16902898

OCc1cccc(OCC2CCC(COc3cccc(CO)c3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
ACHE P22303 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL6241502 1.00 KDM5A (0.48) KDM5AKDM4CTSHRSMN1; SMN2TLR4
SCHEMBL31220919 0.92 TLR4 (0.50) TLR4TLR2MAOAMAOB
SCHEMBL4569158 0.92 TLR4 (0.50) TLR4TLR2MAOAMAOB
SCHEMBL4682048 0.83 ACACB (0.48) TSHRSMN1; SMN2GPBAR1CYSLTR1PPARD
SCHEMBL20421214 0.83 MAOA (0.48) KDM5AKDM4CTSHRSMN1; SMN2NR1H4
SCHEMBL11942141 0.83 ALDH1A1 (0.51) KDM5AKDM4CTSHRSMN1; SMN2TLR4
SCHEMBL1408716 0.83 TLR4 (0.47) KDM5AKDM4CTSHRSMN1; SMN2TLR4
SCHEMBL6851212 0.83 TLR4 (0.47) KDM5AKDM4CTSHRSMN1; SMN2TLR4
SCHEMBL28286417 0.83 TLR4 (0.50) KDM5AKDM4CTSHRSMN1; SMN2TLR4
Hydrochloric Acid SCHEMBL15819873 0.81 TLR4 (0.46) KDM5AKDM4CTLR4TLR2MAOB

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
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed