SCHEMBL4647613

SCHEMBL4647613

O=C(CCCCCl)C(=O)Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
ALDH1A1 P00352 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
GLS O94925 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK8 P45983 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
NPC1 O15118 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
SCHEMBL4647273 0.95 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL4646368 0.85 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL4644170 0.83 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL4644359 0.81 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL6222569 0.80 MAPK8 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL4642818 0.80 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL4644022 0.76 CES2 (0.63) ALDH1A1KMT2AHDAC1
SCHEMBL4644107 0.75 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL4645883 0.74 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL4411791 0.73 CA12 (0.47) CA12CA1CA2CA9ALDH1A1

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