SCHEMBL9679459

SCHEMBL9679459

CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1SC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
AR P10275 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A1 P04798 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL10891023 0.89 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL10886582 0.88 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL9681300 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL10891993 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10889434 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
Methane SCHEMBL10891392 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL10888097 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL10886735 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL10891387 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1AR
SCHEMBL21824684 0.82 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2TSHRMAPK1AR

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