SCHEMBL28044977

SCHEMBL28044977

CC(C)NC(=O)OCCCS

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRA1A P35348 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX1 P07099 1/20 0.37
ACHE P22303 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8382659 0.82 EPHX1 (0.52) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL1416029 0.80 TSHR (0.38) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL30663333 0.80 ACHE (0.51) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL7256336 0.80 EPHX1 (0.60) EPHX1ACHE
SCHEMBL28440301 0.78 EPHX1 (0.63) EPHX1ACHE
SCHEMBL11969614 0.77 EPHX1 (0.43) EPHX1ACHE
SCHEMBL1416627 0.77 EPHX1 (0.43) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL18352551 0.77 ATM (0.52) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL19921260 0.77 ACHE (0.47) TSHRRAB9ALMNACYP3A4NFKB1
SCHEMBL8385048 0.77 TSHR (0.49) TSHRRAB9ALMNACYP3A4NFKB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105506695-A Metallization inhibitors for plastisol coated plating tools ROHM & HAAS ELECT MAT 2016-04-20 CN disclosed