SCHEMBL3665010

SCHEMBL3665010

CC(COCC(C)OC(=O)C(=O)c1ccccc1)OC(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CYP19A1 P11511 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KLK7 P49862 4/20 0.39
PAM P19021 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL476901 0.89 MAPT (0.44) TSHRL3MBTL1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL13397998 0.78 TSHR (0.67) TSHRCYP19A1L3MBTL1ALDH1A1MAPK1
SCHEMBL28319051 0.77 TSHR (0.61) TSHRCYP19A1L3MBTL1ALDH1A1MAPK1
SCHEMBL16080776 0.76 MAPT (0.47) TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16045180 0.76 ALDH1A1 (0.56) TSHRL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14993248 0.76 HPGD (0.51) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL2802176 0.75 ALDH1A1 (0.36) TSHRL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2241152 0.75 TSHR (0.71) TSHRCYP19A1L3MBTL1ALDH1A1MAPK1
SCHEMBL13397838 0.75 TSHR (0.71) TSHRCYP19A1L3MBTL1ALDH1A1MAPK1
SCHEMBL3385018 0.75 CES2 (0.48) TSHRL3MBTL1ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909165-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2015-08-26 EP disclosed
WO-2014060450-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2014-04-24 WO disclosed
EP-2235078-A1 MODIFIED OLEFIN POLYMERS BASF SE (DE) 2010-10-06 EP disclosed
WO-2009090126-A1 MODIFIED OLEFIN POLYMERS BASF SE (DE) 2009-07-23 WO disclosed
EP-2069866-A2 PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-06-17 EP disclosed
WO-2008040650-A2 PHOTOCURABLE COMPOSITIONS COMPRISING A PHOTOINITIATOR OF THE PHENYLGLYOXYLATE TYPE CIBA HOLDING INC. (CH) 2008-04-10 WO disclosed