SCHEMBL29809757

SCHEMBL29809757

CCCCOC(=O)c1cc(O)c2cc(OC)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
SLC2A1 P11166 1/20 0.51
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6108107 0.84 ESR1 (0.58) ESR1SLC2A1LMNACYP1A2CYP2D6
SCHEMBL162778 0.83 ESR1 (0.64) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29809830 0.82 ESR1 (0.57) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1844411 0.82 LCK (0.55) LMNA
SCHEMBL709064 0.79 ESR1 (0.67) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL12193496 0.78 KDM4E (0.65) LMNACYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL3771693 0.77 BCL2L1 (0.56) LMNAMAPK1
SCHEMBL28583778 0.77 ESR1 (0.63) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31498349 0.77 ESR1 (0.44) ESR1CNR2CNR1SLC2A1LMNA
SCHEMBL18053288 0.76 ESR1 (0.59) ESR1LMNACYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274863-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-11-15 EP disclosed
WO-2022148752-A9 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-08-03 WO disclosed
WO-2022148752-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2022-07-14 WO disclosed