SCHEMBL3706302

SCHEMBL3706302

O=C(O)COc1ncc(Cl)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
MAP3K8 P41279 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB5 P28074 1/20 0.38
THRB P10828 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL11000247 0.83 TDP1 (0.53) PLAUTDP1LMNAL3MBTL1MAPT
SCHEMBL12146096 0.79 MTNR1A (0.36) PLAUTDP1LMNAL3MBTL1MAPT
SCHEMBL23375370 0.78 KDM4E (0.55) PLAUTDP1LMNAMAPTTSHR
SCHEMBL20808087 0.76 PLAU (0.45) PLAUTDP1PKMLMNAL3MBTL1
SCHEMBL18600902 0.76 APP (0.54) PLAULMNATSHRSMN1; SMN2
SCHEMBL2005246 0.75 PLAU (0.40) PLAUTDP1LMNAL3MBTL1MAPT
SCHEMBL23705809 0.74 PLAU (0.43) PLAUTDP1PKMLMNAL3MBTL1
SCHEMBL30042575 0.74 PLAU (0.43) PLAUTDP1PKMLMNAL3MBTL1
SCHEMBL25298000 0.74 ACACB (0.39) TDP1LMNAKMT2APSMB5ALDH1A1
SCHEMBL25298001 0.74 ACACB (0.39) TDP1LMNAKMT2APSMB5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed