SCHEMBL9680458

SCHEMBL9680458

CC(C)(C(=O)c1ccc(SC2CCCCC2)cc1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
MLYCD O95822 1/20 0.34

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
SCHEMBL10889539 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10889886 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10886640 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10884364 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL27554 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL14246539 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
Hydrochloric Acid SCHEMBL727298 0.79 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10885949 0.78 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL21824684 0.78 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10886078 0.78 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed