SCHEMBL19634570

SCHEMBL19634570

CC(C)(C)N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
POLB P06746 4/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
GFER P55789 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
PARG Q86W56 1/20 0.38
CA4 P22748 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10053399 0.79 ALDH1A1 (0.73) ALDH1A1POLBCA1CA2CA9
SCHEMBL19702951 0.77 RAB9A (0.48) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL13714121 0.76 RAB9A (0.47) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL19199949 0.74 RAB9A (0.60) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL19200191 0.74 ESR1 (0.50) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL19702942 0.74 CA9 (0.53) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL10773011 0.74 ALDH1A1 (0.70) ALDH1A1POLBCA1CA2CA9
SCHEMBL261181 0.73 POLB (0.53) ALDH1A1POLBRAB9ANPC1GFER
SCHEMBL14447505 0.72 PTPRC (0.53) ALDH1A1CA1CA2CA9CA12
SCHEMBL12737780 0.72 RAB9A (0.42) ALDH1A1POLBRAB9ANPC1GFER

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-20170333836-A1 GAS SEPARATION ASYMMETRIC MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION DEVICE, AND GAS SEPARATION METHOD FUJIFILM CORPORATION (JP) 2017-11-23 US disclosed