SCHEMBL11292012

SCHEMBL11292012

O=C(c1ccccc1)C(OCCN1CCOCC1)(OCCN1CCOCC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
CES1 P23141 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11401127 0.93 CES1 (0.55) ALDH1A1KMT2AMAPTOPRM1OPRD1
SCHEMBL11293408 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AOPRM1KDM4ELMNA
SCHEMBL11293625 0.86 ALDH1A1 (0.57) ALDH1A1KMT2AOPRM1POLBKDM4E
SCHEMBL11401218 0.80 CES1 (0.57) ALDH1A1KMT2AOPRM1KDM4EGAA
SCHEMBL11406208 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTOPRM1OPRD1
SCHEMBL8610622 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTOPRM1OPRD1
SCHEMBL11089360 0.76 CES1 (0.48) ALDH1A1KMT2AMAPTOPRM1POLB
SCHEMBL501720 0.75 ATM (0.76) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL17827510 0.75 MAPT (0.48) ALDH1A1KMT2AMAPTLMNAL3MBTL1
SCHEMBL11083563 0.74 CES1 (0.46) ALDH1A1KMT2AMAPTOPRM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227047-B2 Radiation curable inkjet fluids and inks improved for photoyellowing AGFA GRAPHICS NV (BE) 2012-07-24 US disclosed
US-8227047-B2 Radiation curable inkjet fluids and inks improved for photoyellowing AGFA GRAPHICS NV (BE) 2012-07-24 US disclosed
US-20100330296-A1 RADIATION CURABLE INKJET FLUIDS AND INKS IMPROVED FOR PHOTOYELLOWING AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
US-20100330296-A1 RADIATION CURABLE INKJET FLUIDS AND INKS IMPROVED FOR PHOTOYELLOWING AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
EP-0002707-B1 NEW AMINOALKYL-BENZILKETALS AND THEIR USE AS INITIATORS FOR THE POLYMERISATION OF UNSATURATED COMPOUNDS CIBA-GEIGY AG (CH) 1982-04-07 EP disclosed
US-4271294-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1981-06-02 US disclosed
EP-0002707-A1 New aminoalkyl-benzilketals and their use as initiators for the polymerisation of unsaturated compounds CIBA-GEIGY AG (CH) 1979-07-11 EP disclosed