SCHEMBL11313342

SCHEMBL11313342

C=CC(=O)OC(C)NC(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
SIGMAR1 Q99720 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC18A2 Q05940 1/20 0.44
ACACB O00763 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL11304837 0.85 HPGD (0.41) NPC1RAB9ATAAR1MEN1KMT2A
SCHEMBL11305000 0.83 CTSK (0.43) NPC1RAB9ATAAR1SIGMAR1
SCHEMBL9646933 0.82 CTSK (0.47) NPC1RAB9ATAAR1MEN1KMT2A
SCHEMBL11313410 0.81 CTSK (0.49)
SCHEMBL11316366 0.80 CTSK (0.46)
SCHEMBL3284648 0.79 SIGMAR1 (0.44) SIGMAR1MEN1KMT2ATSHRCYP2C19
SCHEMBL11307114 0.79 CTSK (0.45)
SCHEMBL11310773 0.79 CTSK (0.45)
Bromide SCHEMBL29161131 0.78 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ATSHRCYP2C19
Hydrochloric Acid SCHEMBL28458295 0.78 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ATSHRCYP2C19

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
US-4268602-A Photosensitive O-quinone diazide containing composition TORAY INDUSTRIES, LTD. (JP) 1981-05-19 US disclosed