SCHEMBL8025089

SCHEMBL8025089

CCC(=O)OC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SGMS2 Q8NHU3 4/20 0.55
PTGER1 P34995 1/20 0.53
NPC1 O15118 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP1 P09874 1/20 0.49
BRD4 O60885 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2844752 0.86 HTT (0.64) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL1006768 0.86 HTT (0.64) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL8587610 0.84 HCRTR1 (0.57) HTTMEN1KMT2ANPSR1GAA
SCHEMBL340937 0.83 HTT (0.69) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL978857 0.83 HTT (0.64) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL4431127 0.83 SGMS2 (0.59) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL16908814 0.82 CYP3A4 (0.56) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL28213609 0.81 ADRB2 (0.52) HTTNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4415350 0.81 HTT (0.75) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL28373054 0.81 HCRTR1 (0.50) HTTMEN1KMT2AGAAALDH1A1

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-0980239-A1 COSMETIC SKIN CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 2000-02-23 EP disclosed
WO-1998051659-A1 SALICYLOXY α-CARBOXY ACIDS AND PREPARATION THEREOF UNILEVER PLC (GB) 1998-11-19 WO disclosed
WO-1998051274-A1 COSMETIC SKIN CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 1998-11-19 WO disclosed
US-5762947-A CONTROLLING OILY SKIN ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1998-06-09 US disclosed