SCHEMBL9501912

SCHEMBL9501912

CC(=O)OC(C(=O)N(C)Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
TACR1 P25103 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL10986286 0.87 ALDH1A1 (0.54) HPGDALDH1A1CYP3A4KMT2AMEN1
SCHEMBL27652976 0.81 HPGD (0.47) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL3933947 0.79 TDP1 (0.66) HPGDALDH1A1TDP1KMT2AMEN1
Acetic Acid SCHEMBL9501909 0.77 HPGD (0.58) HPGDALDH1A1TDP1KMT2AMEN1
SCHEMBL29103969 0.77 CYP3A4 (0.57) HPGDALDH1A1CYP3A4KMT2AMEN1
SCHEMBL9501904 0.76 HPGD (0.61) HPGDALDH1A1TDP1KMT2AMEN1
SCHEMBL7692022 0.76 HPGD (0.61) HPGDALDH1A1TDP1KMT2AMEN1
SCHEMBL4204369 0.75 HPGD (0.59) HPGDALDH1A1TDP1KMT2AMEN1
SCHEMBL4192663 0.75 HPGD (0.59) HPGDALDH1A1TDP1KMT2AMEN1
SCHEMBL12251783 0.74 HPGD (0.72) HPGDTDP1KMT2AMEN1NPC1

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-0376852-B1 MICROGRANULES ESSENTIALLY CONSISTING OF TRIGLYCERIDES OF SATURATED FATTY ACIDS LOADED WITH AN ACTIVE SUBSTANCE, AND THEIR TOPICAL THERAPEUTICAL USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-06-23 EP claimed