SCHEMBL11536617

SCHEMBL11536617

CCc1nn(CC)c2ncc(C(=O)O)c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 6/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL1472484 0.85 KMT2A (0.55) KMT2APOLBNR3C1GABRPGABRD
SCHEMBL11796115 0.84 KMT2A (0.57) KMT2APOLBKDM4EALDH1A1TDP1
SCHEMBL1471838 0.78 POLB (0.61) KMT2APOLBPDE4B
SCHEMBL7009102 0.72 PDE4B (0.49) KMT2AKDM4EALDH1A1TDP1NR3C1
SCHEMBL4339847 0.72 POLB (0.49) POLBPDE4B
SCHEMBL11544175 0.72 KMT2A (0.74) KMT2APOLBNR3C1
SCHEMBL11602100 0.70 KMT2A (0.43) KMT2APOLBKDM4EALDH1A1TDP1
SCHEMBL11721689 0.70 KMT2A (0.75) KMT2APOLBKDM4EALDH1A1PDE4B
SCHEMBL17963273 0.69 NR3C1 (0.65) NR3C1PDE4B
SCHEMBL9838391 0.69 NR3C1 (0.36) NR3C1GABRPGABRDGABRA1GABRB1

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-4153796-A ANTIALLERGENS, BRONCHODILATOR AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 US disclosed