SCHEMBL8887645

SCHEMBL8887645

CC(=O)c1c(-c2cccc(OC(C)C)c2)n[nH]c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
DHODH Q02127 1/20 0.41
PTPN5 P54829 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8889750 0.88 GAA (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8889422 0.84 TTK (0.52) RXRARXRBDHODHMAPTALDH1A1
SCHEMBL8887610 0.81 PTDSS1 (0.38) DHODHMAPTALDH1A1LMNAADORA2A
SCHEMBL8889311 0.81 HSP90AA1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8889764 0.81 SMN1; SMN2 (0.51) TSHRKMT2AMAPTALDH1A1LMNA
SCHEMBL8887278 0.81 GABRA1 (0.46) RXRARXRBGABRA1GABRG2GABRB3
SCHEMBL8889929 0.81 MAPK13 (0.44) ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL8887907 0.81 SMN1; SMN2 (0.46) RXRARXRBMAPTALDH1A1SMN1; SMN2
SCHEMBL17279847 0.80 CCNE2 (0.45) TSHRMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8889925 0.80 MAP2K4 (0.45) ALDH1A1ADORA3ADORA2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed