SCHEMBL3364576

SCHEMBL3364576

CCOC(=O)O.COc1cc(OC)cc(C(O)C(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
LMNA P02545 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TACR1 P25103 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL139044 0.89 CES2 (0.59) CES2LMNACES1NPC1RAB9A
Bicarbonate SCHEMBL291493 0.87 CES2 (0.58) CES2LMNACES1NPC1RAB9A
Acetic Acid SCHEMBL3368380 0.86 CES2 (0.56) CES2LMNACES1NPC1RAB9A
Carbamic Acid SCHEMBL1695357 0.85 CES2 (0.54) CES2LMNACES1NPC1RAB9A
SCHEMBL28343389 0.85 CES2 (0.54) CES2LMNACES1NPC1RAB9A
Phosphoric Acid SCHEMBL9151566 0.83 CES2 (0.53) CES2LMNACES1NPC1RAB9A
SCHEMBL16653010 0.82 LMNA (0.54) CES2LMNACES1NPC1RAB9A
Acrylic Acid SCHEMBL10353178 0.81 CES2 (0.50) CES2LMNACES1NPC1RAB9A
SCHEMBL22157293 0.78 MEN1 (0.52) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL8622126 0.77 CES2 (0.61) CES2LMNACES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617812-B1 PHOTORESPONSIVE FRAGRANCES PHO DERMA INC (US) 2010-10-06 EP disclosed
EP-1021159-B1 PHOTORESPONSIVE SUNSCREEN COMPOSITIONS CALIFORNIA INST OF TECHN (US) 2006-07-12 EP disclosed
EP-1617812-A2 PHOTORESPONSIVE FRAGRANCES Pho Derma, Inc. (US) 2006-01-25 EP disclosed
US-20050020459-A1 Carrier solution for cleaning purposes or topical applying SOLARBRE, INC. 2005-01-27 US disclosed
WO-2004084853-A2 PHOTORESPONSIVE FRAGRANCES PHO DERMA, INC. (US) 2004-10-07 WO disclosed
US-6280711-B1 INTRAMOLECULAR PHOTOCHEMICAL REARRANGEMENTS INDUCED BY ULTRAVIOLET RADIATION; TOPICAL CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-28 US disclosed
EP-1021159-A1 PHOTORESPONSIVE SUNSCREEN COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-26 EP disclosed
US-6022529-A Photoresponsive sunscreen compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-02-08 US disclosed
WO-1999007336-A1 PHOTORESPONSIVE SUNSCREEN COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-02-18 WO disclosed