SCHEMBL9766563

SCHEMBL9766563

COCCC(CCOC)C(C)(N)C(=O)c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
PLK1 P53350 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
SLC6A4 P31645 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MLYCD O95822 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9766551 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1LMNASLC6A4
SCHEMBL10384878 0.83 POLB (0.42) ALDH1A1SMN1; SMN2LMNASLC6A4KDM4E
SCHEMBL10384419 0.83 CA1 (0.47) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL10384260 0.83 CES1 (0.41) TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL9766565 0.81 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL9679848 0.81 PPARA (0.42) ALDH1A1LMNAMAPTGAA
SCHEMBL10885981 0.80 ALDH1A1 (0.39) TAS1R3TAS1R1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9681309 0.79 MLYCD (0.40) ALDH1A1KDM4EMEN1KMT2AMLYCD
SCHEMBL9766582 0.79 MLYCD (0.32) ALDH1A1MLYCD
SCHEMBL9680487 0.75 MAPT (0.46) ALDH1A1SMN1; SMN2MAPK1LMNAKDM4E

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-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed