SCHEMBL9681257

SCHEMBL9681257

CCCCC(CC)(C(=O)c1ccc(OC)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.43
FKBP1A P62942 2/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9681606 0.86 GSK3B (0.46) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL10384862 0.86 ALDH1A1 (0.42) ALDH1A1MAPTALOX12SMN1; SMN2KMT2A
SCHEMBL10385927 0.85 ALDH1A1 (0.46) ALDH1A1MAPTUSP2ALOX12HPGD
SCHEMBL9679954 0.84 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10384867 0.84 ALDH1A1 (0.62) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL10979628 0.83 LMNA (0.41) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL8898956 0.83 ALDH1A1 (0.46) ALDH1A1MAPTUSP2ALOX12HPGD
SCHEMBL8897354 0.79 ALDH1A1 (0.49) ALDH1A1MAPTUSP2ALOX12HPGD
SCHEMBL8898761 0.78 ALDH1A1 (0.50) ALDH1A1MAPTUSP2HPGDSMN1; SMN2
SCHEMBL275396 0.77 ALDH1A1 (0.65) ALDH1A1MAPTUSP2ALOX12HPGD

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