SCHEMBL513071

SCHEMBL513071

C=C(C)C(=O)OC(CC)Oc1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
GAA P10253 6/20 0.34
MAPT P10636 3/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ELANE P08246 1/20 0.33
MAPK1 P28482 2/20 0.33
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL28295249 0.82 ALDH1A1 (0.42) TSHRGAAMAPK1L3MBTL1KDM4E
SCHEMBL11341214 0.82 HPGD (0.36) GAAKDM4ETDP1HPGDALDH1A1
SCHEMBL1404301 0.81 MTNR1A (0.42) TSHRGAAMAPTELANENPSR1
SCHEMBL9843253 0.81 CA1 (0.39) CA1CA2TSHRTP53CA12
SCHEMBL181485 0.80 THRB (0.40) CA1CA2TSHRTP53CA12
SCHEMBL7596823 0.79 TSHR (0.50) CA1CA2TSHRTP53CA12
SCHEMBL12095456 0.78 THRA (0.51) PTGS2
SCHEMBL10879375 0.76 TSHR (0.52) CA1CA2TSHRTP53CA12
SCHEMBL6392627 0.76 MAPT (0.34) MAPT
SCHEMBL28090933 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210381-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS Alcon Universal, Ltd. (CH) 2002-06-05 EP claimed
WO-2001018079-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON UNIVERSAL LTD. (CH) 2001-03-15 WO claimed
US-9957343-B2 Ionic bonding group-containing comb polymers BYK-CHEMIE, GMBH (DE) 2018-05-01 US disclosed
US-9556299-B2 Surface-active comb copolymers BYK-CHEMIE GMBH (DE) 2017-01-31 US disclosed
US-20150203619-A1 SURFACE-ACTIVE COMB COPOLYMERS BYK-CHEMIE GMBH (DE) 2015-07-23 US disclosed
US-20150152211-A1 IONIC BONDING GROUP-CONTAINING COMB POLYMERS BYK-CHEMIE GMBH (DE) 2015-06-04 US disclosed
CN-103358742-A Ink jet recording method, ultraviolet curable ink, and ink jet recording apparatus SEIKO EPSON CORP 2013-10-23 CN disclosed
US-20130018121-A1 COMPOSITION COMPRISING STABLE POLYOL MIXTURES BYK-CHEMIE GMBH (DE) 2013-01-17 US disclosed
US-20120029104-A1 COMPOSITION COMPRISING STABLE POLYOL MIXTURES BYK-CHEMIE GMBH (DE) 2012-02-02 US disclosed
EP-1210381-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS Alcon Universal, Ltd. (CH) 2002-06-05 EP disclosed
WO-2001018079-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON UNIVERSAL LTD. (CH) 2001-03-15 WO disclosed