SCHEMBL19984893

SCHEMBL19984893

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCC(C)(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PDK2 Q15119 1/20 0.31
APP P05067 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL23934522 0.89 SIGMAR1 (0.32) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19984885 0.86 SIGMAR1 (0.34) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19985047 0.82 PIN1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL21538718 0.81 L3MBTL1 (0.38) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19984919 0.80 PRMT5 (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19985041 0.80 ANO1 (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19984900 0.78 FFAR1 (0.38) L3MBTL1OPRL1GAACA1CA2
SCHEMBL21538772 0.77 SIGMAR1 (0.33) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19984877 0.77 TSHR (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL23934540 0.77 ALDH1A1 (0.46) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1

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-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed