SCHEMBL9681207

SCHEMBL9681207

COc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 5/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
HIF1A Q16665 1/20 0.46
AKR1C3 P42330 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2319695 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL21119060 0.83 CA12 (0.53) ALDH1A1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL12187774 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL9681204 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL10889434 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL10891993 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL6131968 0.79 HPGD (0.63) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL9681189 0.78 MAPT (0.58) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL275396 0.77 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL9681329 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT

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