SCHEMBL24244656

SCHEMBL24244656

COCCOc1cc(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
IKBKB O14920 4/20 0.38
RARA P10276 3/20 0.38
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD4 P21917 1/20 0.34
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL549875 0.91 ALDH1A1 (0.41) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL548767 0.86 ALDH1A1 (0.41) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL3767299 0.86 ALDH1A1 (0.41) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL548846 0.86 ALDH1A1 (0.42) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL549597 0.85 ALDH1A1 (0.44) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL548839 0.83 ALDH1A1 (0.44) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL548706 0.81 ALDH1A1 (0.42) ALDH1A1GLAHPGDSMN1; SMN2TP53
SCHEMBL549834 0.80 ALDH1A1 (0.38) ALDH1A1GLAIKBKBRARAHPGD
SCHEMBL22225715 0.79 ALDH1A1 (0.34) ALDH1A1GLAIKBKBHPGDSMN1; SMN2
SCHEMBL3766011 0.79 ALDH1A1 (0.39) ALDH1A1GLAHPGDSMN1; SMN2TP53

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
EP-3951447-A1 COMPOSITION, LIGHT SHIELDING FILM, COLOR FILTER, OPTICAL ELEMENT, SENSOR, SOLID-STATE IMAGING ELEMENT, AND HEADLIGHT UNIT FUJIFILM Corporation (JP) 2022-02-09 EP disclosed