SCHEMBL9681204

SCHEMBL9681204

COc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1N(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 9/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL9681184 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL2319695 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9681207 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9680395 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL10889434 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9681300 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1GLA
SCHEMBL9679423 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL10891993 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9681189 0.77 MAPT (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9679558 0.76 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A

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