SCHEMBL16902891

SCHEMBL16902891

OCc1cccc(OCOc2cccc(CO)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ENPP2 Q13822 1/20 0.45
KDR P35968 1/20 0.44
FYN P06241 1/20 0.43
TTR P02766 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
LTA4H P09960 1/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 3/20 0.41
PRKCI P41743 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL1135279 0.88 FYN (0.56) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL16902885 0.85 TSHR (0.51) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL16902876 0.85 TSHR (0.54) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL10602833 0.85 TSHR (0.54) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL16902882 0.83 TSHR (0.53) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL126287 0.83 TP53 (0.55) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL14724394 0.83 ALDH1A1 (0.57) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL19375437 0.83 TSHR (0.53) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL7254533 0.83 TSHR (0.53) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2
SCHEMBL16902896 0.83 TSHR (0.53) TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2

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