SCHEMBL7599783

SCHEMBL7599783

CCCCCCCCCCCCOC(=O)c1cccc(N(C(N)=O)S(=O)(=O)c2ccccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
STS P08842 6/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL7601389 0.89 LMNA (0.44) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL29430026 0.85 STS (0.49) ESR1STSALDH1A1NPC1MAPT
SCHEMBL7596654 0.84 CNR2 (0.43) ESR1STSALDH1A1NPC1MAPT
SCHEMBL7597834 0.78 LMNA (0.51) STSALDH1A1MAPTLMNAKDM4E
SCHEMBL20981709 0.73 HCRTR2 (0.43) ESR1TSHRPOLBMAPK1
SCHEMBL111221 0.73 LMNA (0.66) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL5373212 0.73 LMNA (0.66) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL5370832 0.73 LMNA (0.66) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL110817 0.73 LMNA (0.66) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL5366432 0.73 LMNA (0.66) ESR1ALDH1A1NPC1MAPTRAB9A

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
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed