SCHEMBL11118401

SCHEMBL11118401

CCOc1cc(NC(=O)c2ccccc2)c(OCC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MAPK1 P28482 3/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
AHR P35869 1/20 0.57
HDAC1 Q13547 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 2/20 0.53
EPHX1 P07099 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL30434017 0.80 EPHX1 (0.77) MAPTMAPK1TSHRSMN1; SMN2HDAC1
SCHEMBL1756430 0.80 EPHX1 (0.77) MAPTMAPK1TSHRSMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL11649584 0.79 MEN1 (0.50) MAPTMAPK1TSHRSMN1; SMN2HDAC1
Ammonia Solution, Strong SCHEMBL28098407 0.79 EPHX1 (0.80) MAPTMAPK1TSHRSMN1; SMN2HDAC1
SCHEMBL12355553 0.79 SMN1; SMN2 (0.75) MAPTMAPK1SMN1; SMN2AHRHDAC1
Nitrogen SCHEMBL4600490 0.78 EPHX1 (0.74) MAPTMAPK1TSHRSMN1; SMN2HDAC1
Nitrogen SCHEMBL1785874 0.77 EPHX1 (0.72) MAPTMAPK1TSHRSMN1; SMN2HDAC1
SCHEMBL27922925 0.76 MAPT (0.61) MAPTMAPK1TSHRSMN1; SMN2AHR
SCHEMBL29826604 0.75 TP53 (0.83) MAPTMAPK1TSHRSMN1; SMN2HDAC1
SCHEMBL8820811 0.75 SMN1; SMN2 (0.76) MAPTMAPK1TSHRSMN1; SMN2AHR

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-0123224-A2 Heat sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1984-10-31 EP disclosed