SCHEMBL11544290

SCHEMBL11544290

COC(CCP(=O)(OC)OC)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.49
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.39
PTPN1 P18031 2/20 0.36
KCNN4 O15554 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
BTN3A1 O00481 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL11590007 0.88 CES1 (0.42) CES1POLBLMNASRCPTPN1
SCHEMBL9346011 0.88 CES1 (0.46) CES1POLBLMNASRCKCNN4
SCHEMBL11546667 0.88 CES1 (0.46) CES1POLBLMNASRCPTPN1
SCHEMBL11543991 0.87 CES1 (0.44) CES1POLBLMNASRCPTPN1
SCHEMBL3267061 0.85 CES1 (0.48) CES1POLBLMNASRCMEN1
SCHEMBL11543398 0.85 CES1 (0.40) CES1POLBLMNASRCPTPN1
SCHEMBL11547240 0.84 CES1 (0.42) CES1CES2
SCHEMBL9341932 0.82 CES1 (0.44) CES1POLBLMNASRCPTPN1
SCHEMBL135045 0.80 CES1 (0.54) CES1LMNASRCKCNN4TSHR
SCHEMBL11541964 0.79 CES1 (0.34) CES1PTPN1HPGDCES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082821-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1978-04-04 US claimed
US-4160794-A CURING OR POLYMERIZATION PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
US-4082821-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed