SCHEMBL16902897

SCHEMBL16902897

CC(Oc1cccc(CO)c1)C(C)Oc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 2/20 0.44
ENPP2 Q13822 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TTR P02766 1/20 0.40
PTGES O14684 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MTNR1B P49286 1/20 0.39
KDR P35968 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL13803109 0.93 TSHR (0.45) TSHRSMN1; SMN2TAAR1ENPP2NR1H4
SCHEMBL112105 0.89 DHFR (0.48) TSHRSMN1; SMN2TAAR1
SCHEMBL30484265 0.89 DHFR (0.48) TSHRSMN1; SMN2TAAR1
SCHEMBL27688854 0.85 TAAR1 (0.46) TSHRSMN1; SMN2TAAR1ENPP2NR1H4
SCHEMBL758042 0.84 TSHR (0.44) TSHRSMN1; SMN2TAAR1NR1H4GPBAR1
SCHEMBL13803187 0.84 TSHR (0.44) TSHRSMN1; SMN2TAAR1NR1H4GPBAR1
SCHEMBL4297086 0.82 CYP2C9 (0.51) TSHRSMN1; SMN2PPARGPPARA
SCHEMBL2939051 0.82 CYP2C9 (0.51) TSHRSMN1; SMN2PPARGPPARA
SCHEMBL13802842 0.81 TSHR (0.45) TSHRSMN1; SMN2TAAR1ENPP2GPBAR1
SCHEMBL12124933 0.81 TSHR (0.42) TSHRSMN1; SMN2TAAR1PPARGPPARA

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