SCHEMBL19985048

SCHEMBL19985048

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCc2cc(O)c(OC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP14 P50281 2/20 0.35
MMP15 P51511 2/20 0.35
MMP16 P51512 2/20 0.35
MMP26 Q9NRE1 2/20 0.35
HSD17B10 Q99714 3/20 0.34
MAOA P21397 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B1 P14061 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 2/20 0.34
NFKB1 P19838 2/20 0.34
ESR1 P03372 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL23934483 0.93 MTNR1B (0.39) ALDH1A1CYP3A4CYP2C19KMT2ANQO2
SCHEMBL19984904 0.87 MMP1 (0.35) MMP1MMP2MMP7MMP9MMP12
SCHEMBL23934524 0.82 ADRA2A (0.39) HSD17B10ALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL19985047 0.81 PIN1 (0.38) MEN1KMT2A
SCHEMBL23934558 0.80 MTNR1B (0.39) ALDH1A1CYP3A4CYP2C19KMT2ANQO2
SCHEMBL19984918 0.79 GAA (0.35) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL19984900 0.75 FFAR1 (0.38) CYP2D6CYP3A4MEN1GAAKMT2A
SCHEMBL19984919 0.75 PRMT5 (0.38) ALDH1A1CYP1A2CYP3A4TP53TSHR
SCHEMBL21538785 0.74 NQO2 (0.44) ALDH1A1CYP3A4CYP2C19MAPTKMT2A
SCHEMBL19985041 0.74 ANO1 (0.38) ALDH1A1MEN1KMT2AKDM4E

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