SCHEMBL8425372

SCHEMBL8425372

C=C(C)COc1ccc(C2OC(=O)CC(=O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 6/20 0.33
LMNA P02545 5/20 0.33
HSD17B10 Q99714 5/20 0.33
TSHR P16473 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL9717102 0.78 CA12 (0.43) ALDH1A1PKMGPR174LMNASMN1; SMN2
SCHEMBL31483452 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL31483389 0.78 NPC1 (0.51) ALDH1A1POLBL3MBTL1LMNATSHR
SCHEMBL31483398 0.77 BRD4 (0.42) ALDH1A1POLBKDM4ELMNAHSD17B10
SCHEMBL8421285 0.77 ALDH1A1 (0.49) ALDH1A1POLBGPR174TSHRHPGD
SCHEMBL9685950 0.75 LMNA (0.55) ALDH1A1LMNATSHRMAPTTP53
SCHEMBL3428777 0.75 LMNA (0.52) ALDH1A1POLBKMT2ALMNAHSD17B10
SCHEMBL10338925 0.74 GPR174 (0.58) ALDH1A1POLBKMT2APKMMEN1
SCHEMBL8423212 0.74 GSTP1 (0.46) ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL31483378 0.71 TSHR (0.48) ALDH1A1POLBKMT2APKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845467-B1 Silicon containing sunscreen agents, sunscreen composition containing them and their use OREAL (FR) 1999-10-13 EP disclosed
EP-0845467-A1 Silicon containing sunscreen agents, and cosmetic sunscreen composition containing them L'OREAL (FR) 1998-06-03 EP disclosed
EP-0358584-B1 DIORGANOPOLYSILOXANES CONTAINING FUNCTIONAL BENZAL MALONATE GROUPS RHONE-POULENC CHIMIE (FR) 1992-09-16 EP disclosed
EP-0358584-A1 Diorganopolysiloxanes containing functional benzal malonate groups RHONE-POULENC CHIMIE (FR) 1990-03-14 EP disclosed