SCHEMBL3132415

SCHEMBL3132415

CC(Br)(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.30
ATM Q13315 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
SCHEMBL7209074 0.79 POLB (0.35) CA12CA1CA9POLBALDH1A1
SCHEMBL29876297 0.77 CA12 (0.36) CA12CA1CA9ALDH1A1PKM
SCHEMBL913291 0.77 POLB (0.34) CA12CA1CA9POLBALDH1A1
SCHEMBL1010019 0.76 CA12 (0.35) CA12CA1CA9ALDH1A1PKM
SCHEMBL4891780 0.74 KDM4E (0.36) CA12CA1CA9POLBALDH1A1
SCHEMBL9285475 0.72 POLB (0.32) POLB
SCHEMBL43721 0.72 POLB (0.32) POLB
SCHEMBL4012635 0.72 CA12 (0.31) CA12CA1CA9
SCHEMBL7431766 0.71 POLB (0.31) POLBATM
SCHEMBL6675625 0.71 CA12 (0.32) CA12CA1CA9ALDH1A1PKM

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
US-20100004391-A1 METHOD FOR DERIVATIZING HAIR WITH A REACTIVE POLYETHYLENE GLYCOL CONOPCO, INC. D/B/A UNILEVER 2010-01-07 US disclosed