SCHEMBL3368374

SCHEMBL3368374

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
CYP3A4 P08684 1/20 0.69
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
POLB P06746 2/20 0.58
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
GPR139 Q6DWJ6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ADRB2 P07550 1/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL291491 0.90 MEN1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL291492 0.90 MEN1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL7148678 0.88 MEN1 (0.58) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL13080506 0.88 ALDH1A1 (0.69) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL28343387 0.87 MEN1 (0.57) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL10353075 0.83 MEN1 (0.53) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL23511126 0.83 ALDH1A1 (0.70) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL337104 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL3364573 0.82 MAPT (0.52) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL12582217 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4MEN1KMT2AMAPT

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 8 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
US-6022529-A Photoresponsive sunscreen compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-02-08 US disclosed
US-5767288-A DITHIANE-BENZOIN ADDUCTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-16 US disclosed