SCHEMBL9681149

SCHEMBL9681149

CC(C)(C(=O)c1cccs1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
RAB9A P51151 6/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 5/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 4/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11084878 0.84 GAA (0.54) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2013741 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL57063 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL29175534 0.75 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3700972 0.74 GAA (0.72) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL52410 0.74 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL3181932 0.73 CES2 (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3732383 0.73 CES2 (0.58) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL28838517 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL28618917 0.72 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1

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 3 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
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed