SCHEMBL9397907

SCHEMBL9397907

C=CC[C@H]1C[C@@H](O)CCC1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL9397906 1.00 NR1H4 (0.37) NR1H4POLBMAPTPAX8RXRA
SCHEMBL9397901 1.00 NR1H4 (0.37) NR1H4POLBMAPTPAX8RXRA
SCHEMBL30159080 0.74 POLB (0.32) POLBMAPTRXRARXRBRXRG
SCHEMBL30159039 0.74 POLB (0.32) POLBMAPTRXRARXRBRXRG
SCHEMBL17440309 0.70 NR1H4 (0.32) NR1H4PAX8GPBAR1MAPK1
SCHEMBL17440235 0.70 NR1H4 (0.32) NR1H4PAX8GPBAR1MAPK1
SCHEMBL17440249 0.70 NR1H4 (0.32) NR1H4PAX8GPBAR1MAPK1
SCHEMBL18487409 0.69 RXRA (0.36) POLBMAPTRXRARXRBRXRG
SCHEMBL15663190 0.67 MAPK1 (0.32) POLBMAPTRXRARXRBRXRG
SCHEMBL19285732 0.66 FFAR3 (0.37) MAPK1

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
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed