SCHEMBL22864017

SCHEMBL22864017

C=Cc1ccc(C(C)OC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
HSD17B2 P37059 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL24945942 0.82 HSD11B1 (0.36) HCAR2LMNAHTTNPSR1KMT2A
SCHEMBL24177827 0.80 HCAR2 (0.49) HCAR2LMNAHTTNPSR1ALDH1A1
SCHEMBL23903700 0.74 ELANE (0.37) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL22317396 0.74 ALDH1A1 (0.33) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL27691715 0.72 TAS1R3 (0.36) PTGS2HCAR2TAS1R3TAS1R1ALDH1A1
SCHEMBL15782695 0.71 CA1 (0.40) TAS1R3TAS1R1LMNANPSR1ALDH1A1
SCHEMBL26861547 0.70 CA1 (0.54) TAS1R3TAS1R1ALDH1A1TDP1
SCHEMBL15907710 0.69 CA1 (0.42) PTGS2HCAR2LMNAAKR1C3AKR1C2
SCHEMBL29162670 0.69 ALDH1A1 (0.50) PTGS2TAS1R3TAS1R1ALDH1A1TRPA1
SCHEMBL4622052 0.67 HTT (0.38) HCAR2HTTALDH1A1KMT2AKDM4E

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-11783958-B2 Conductive wiring material composition, conductive wiring substrate and method for producing conductive wiring substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-10 US disclosed
US-11783958-B2 Conductive wiring material composition, conductive wiring substrate and method for producing conductive wiring substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-10 US disclosed
US-20210007218-A1 CONDUCTIVE WIRING MATERIAL COMPOSITION, CONDUCTIVE WIRING SUBSTRATE AND METHOD FOR PRODUCING CONDUCTIVE WIRING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-01-07 US disclosed