SCHEMBL22851948

SCHEMBL22851948

CC/N=c1/ccc2c(-c3ccccc3C(=O)OCC)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ATM Q13315 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CFTR P13569 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ GOPC Q9HD26 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GLA P06280 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL14192859 0.92 ABCB1 (0.44) MAOBABCB1ATMUSP2CFTR
SCHEMBL15100480 0.92 ABCB1 (0.53) MAOBABCB1ATMUSP2CFTR
SCHEMBL2732905 0.92 ABCB1 (0.43) MAOBABCB1ATMUSP2CFTR
SCHEMBL15100483 0.89 TGM2 (0.42) MAOBABCB1ATMUSP2CFTR
SCHEMBL17517217 0.89 TGM2 (0.42) MAOBABCB1ATMUSP2CFTR
SCHEMBL20961733 0.89 ABCB1 (0.40) MAOBABCB1ATMUSP2CFTR
Hydrochloric Acid SCHEMBL11336327 0.88 TGM2 (0.42) MAOBABCB1ATMUSP2CFTR
SCHEMBL12103999 0.88 MEN1 (0.43) ABCB1ATMUSP2CFTRPAX8
SCHEMBL25513911 0.88 ABCB1 (0.47) ABCB1ATMUSP2CFTRPAX8
SCHEMBL18084345 0.87 FPR2 (0.43) MAOBABCB1ATMUSP2CFTR

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-20200407628-A1 COLOR MATCHED AND BRIGHT FLUORESCENT MATERIALS COMPOSED OF SMALL-MOLECULE IONIC LATTICES UNIVERSITY OF COPENHAGEN (DK) 2020-12-31 — — US disclosed
Send feedback