SCHEMBL9749783

SCHEMBL9749783

C=CCC(OC(CC=C)(C(=O)c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.49
CES1 P23141 4/20 0.44
KMT2A Q03164 2/20 0.41
SRC P12931 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
AKT1 P31749 1/20 0.39
CES2 O00748 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11091632 0.88 CES1 (0.53) ALDH1A1TSHRHTTCES1KMT2A
SCHEMBL13260805 0.86 ALDH1A1 (0.47) ALDH1A1TSHRHTTCES1KMT2A
SCHEMBL11098719 0.85 ALDH1A1 (0.46) ALDH1A1TSHRHTTCES1KMT2A
SCHEMBL7945147 0.80 CES1 (0.49) ALDH1A1TSHRCES1KMT2ASRC
SCHEMBL197860 0.78 ALDH1A1 (0.56) ALDH1A1TSHRHTTCES1KMT2A
SCHEMBL868096 0.78 CES1 (0.51) ALDH1A1TSHRCES1SRCCES2
SCHEMBL2244340 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL9718680 0.77 CES1 (0.44) ALDH1A1TSHRHTTCES1KMT2A
Methoxymethane SCHEMBL9749754 0.76 TSHR (0.50) ALDH1A1TSHRHTTCES1KMT2A
SCHEMBL914317 0.76 CES1 (0.43) ALDH1A1TSHRHTTCES1KMT2A

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-0228145-B1 POLYPHOTOINITIATORS LOCTITE CORPORATION (US) 1992-03-18 EP disclosed
EP-0228145-A1 Polyphotoinitiators LOCTITE CORPORATION (US) 1987-07-08 EP disclosed
US-4587276-A Polyphotoinitiators LOCTITE CORPORATION (US) 1986-05-06 US disclosed
EP-0129443-A2 Curable compositions containing photoinitiators LOCTITE CORPORATION (US) 1984-12-27 EP disclosed
US-4477326-A ULTRAVIOLET - CURABLE MIXTURE OF AN A-ALLYLBENZOIN ETHER-MODIFIED POLYSILOXANE AND UNSATURATED MONOMER; COATINGS LOCTITE CORPORATION (US) 1984-10-16 US disclosed
US-4477326-A ULTRAVIOLET - CURABLE MIXTURE OF AN A-ALLYLBENZOIN ETHER-MODIFIED POLYSILOXANE AND UNSATURATED MONOMER; COATINGS LOCTITE CORPORATION (US) 1984-10-16 US disclosed