SCHEMBL18162174

SCHEMBL18162174

O=C(ON1C(=O)CCC1=O)c1ccc(CC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MGLL Q99685 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PANK3 Q9H999 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL300884 0.82 CA12 (0.42) ALDH1A1LMNAHPGDMGLLKMT2A
SCHEMBL17071632 0.81 ALDH1A1 (0.47) ALDH1A1LMNAHPGDPOLBKMT2A
SCHEMBL9743869 0.81 HPGD (0.38) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL9596298 0.80 CES2 (0.42) ALDH1A1LMNAHPGDMGLLKMT2A
SCHEMBL13845025 0.80 LOXL2 (0.53) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL17208731 0.80 CA1 (0.44) ALDH1A1LMNAHPGDMGLLKMT2A
SCHEMBL23297258 0.80 CES2 (0.47) ALDH1A1LMNAHPGDPOLBKMT2A
SCHEMBL26169637 0.80 EPHX2 (0.40) LMNAPOLBKMT2AMEN1
SCHEMBL20804144 0.79 CYP3A4 (0.41) ALDH1A1LMNAHPGDKMT2ALOXL2
SCHEMBL20278541 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2AMEN1

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-20160307747-A1 METHODS FOR DEPOSITING A MONOLAYER ON A SUBSTRATE THE UNIVERSITY OF ROCHESTER 2016-10-20 US disclosed