SCHEMBL4644029

SCHEMBL4644029

C[CH]C(=O)OC(=O)Cc1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA5A P35218 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
RIPK1 Q13546 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
IDO1 P14902 2/20 0.37
MAPK8 P45983 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4643647 0.84 RIPK1 (0.38) CA2CA5AALDH1A1TSHRCA12
SCHEMBL4643726 0.82 CNR2 (0.37) CA2CA5AALDH1A1TSHRCA12
SCHEMBL4643292 0.81 KMT2A (0.41) CA2CA5AALDH1A1CA12CA1
SCHEMBL4643285 0.78 PARP10 (0.43) CA2CA5AALDH1A1CA12CA1
SCHEMBL31042998 0.78 KMT2A (0.51) CA2ALDH1A1TSHRCA12CA1
SCHEMBL965852 0.78 KMT2A (0.51) CA2ALDH1A1TSHRCA12CA1
SCHEMBL4644032 0.77 CA2 (0.40) CA2CA5AALDH1A1CA12CA1
SCHEMBL4641553 0.76 TSHR (0.53) ALDH1A1TSHRKMT2A
SCHEMBL29511550 0.75 PKM (0.53) ALDH1A1TSHRPKM
SCHEMBL852520 0.75 PKM (0.53) ALDH1A1TSHRPKM

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed