SCHEMBL9681189

SCHEMBL9681189

COc1cc(C(=O)C(C)(C)N2CCOCC2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL10886422 0.89 ALDH1A1 (0.53) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL2319695 0.84 ALDH1A1 (0.59) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL10891993 0.79 ALDH1A1 (0.61) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
Trimetozine SCHEMBL114786 0.78 MAPT (0.72) MAPTALDH1A1POLBKMT2ACYP1A2
SCHEMBL9681207 0.78 ALDH1A1 (0.52) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL3669987 0.77 ALDH1A1 (0.47) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL9681204 0.77 ALDH1A1 (0.51) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL10889434 0.77 ALDH1A1 (0.61) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL275396 0.77 ALDH1A1 (0.65) MAPTTSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL28896786 0.75 L3MBTL1 (0.65) TSHRALDH1A1MAPK1SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed