SCHEMBL476918

SCHEMBL476918

C=C(CCC)C(=O)N(CC)CCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CA2 P00918 1/20 0.40
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
GPR84 Q9NQS5 6/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36

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
SCHEMBL2843726 0.93 MGLL (0.43) MGLLCA12CA1CA9ZDHHC20
SCHEMBL1628362 0.91 CA12 (0.41) MGLLCA12CA1CA9ZDHHC20
SCHEMBL1032051 0.86 CA12 (0.37) MGLLCA12CA1CA9HDAC11
SCHEMBL1629808 0.85 MGLL (0.43) MGLLCA12CA1CA9ZDHHC20
SCHEMBL1628366 0.85 CA12 (0.47) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1030242 0.84 CA12 (0.38) MGLLCA12CA1CA9CA2
SCHEMBL25493947 0.84 MGLL (0.46) MGLLCA12CA1CA9ZDHHC20
SCHEMBL194525 0.83 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL1079303 0.83 CES2 (0.43) MGLLCA12CA1CA9ZDHHC20
SCHEMBL648954 0.83 CES2 (0.46) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411430-A1 PHOTORESIST COMPOSITION BASF SE (DE) 2012-02-01 EP disclosed