SCHEMBL12023765

SCHEMBL12023765

O=C(NC1(C(=O)c2ccccc2)CCCC1)c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
PKM P14618 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.55
PTGS2 P35354 1/20 0.54
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL12024335 0.86 TSHR (0.60) TSHRRAB9ANPC1PKMSMN1; SMN2
SCHEMBL1842072 0.86 TSHR (0.69) TSHRRAB9ANPC1PKMSMN1; SMN2
SCHEMBL18059064 0.81 CTSL (0.60) MAPTALDH1A1POLBCASP3SENP8
SCHEMBL18059053 0.80 TSHR (0.61) TSHRRAB9ANPC1PKMSMN1; SMN2
SCHEMBL18059044 0.79 NPC1 (0.55) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12023858 0.79 CTSL (0.40) TSHRRAB9ANPC1
SCHEMBL12024325 0.78 NPC1 (0.54) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1837613 0.78 TSHR (0.59) TSHRRAB9ANPC1PKMSMN1; SMN2
SCHEMBL12098605 0.77 MAPT (0.72) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL5675701 0.76 TSHR (0.60) TSHRRAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
EP-2392561-A1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2011-12-07 EP disclosed