SCHEMBL13724166

SCHEMBL13724166

O=CCOCCOC[CH]Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
TOP1 P11387 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CA9 Q16790 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30

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
SCHEMBL2281945 0.81 TSHR (0.54) MAOBTSHRALDH1A1TDP1LMNA
SCHEMBL20572728 0.79 MAOB (0.41) MAOBTSHRCA1CA2ARG2
SCHEMBL27172833 0.79 TSHR (0.52) MAOBTSHRALDH1A1TDP1LMNA
SCHEMBL20216100 0.79 TSHR (0.52) MAOBTSHRALDH1A1TDP1LMNA
SCHEMBL2322253 0.79 CA1 (0.46) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL4069935 0.76 TSHR (0.58) MAOBTSHRCA1CA2CA9
SCHEMBL3438753 0.76 IDO1 (0.52) MEN1LMNAKMT2A
SCHEMBL2455458 0.75 MAOB (0.44) MAOBADH1BADH1CADH1AADH7
SCHEMBL76044 0.74 TSHR (0.61) MAOBTSHRCA1CA2ALDH1A1
SCHEMBL30425720 0.74 TSHR (0.61) MAOBTSHRCA1CA2ALDH1A1

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
EP-2790731-A2 FGFR-BINDER-ACTIVE AGENT CONJUGATES Seattle Genetics, Inc. (US) 2014-10-22 EP disclosed
EP-2699268-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE Seattle Genetics, Inc. (US) 2014-02-26 EP disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143499-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143497-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed