SCHEMBL9501904

SCHEMBL9501904

CN(Cc1ccccc1)C(=O)C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
TACR1 P25103 1/20 0.50
RIPK1 Q13546 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47

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
Acetic Acid SCHEMBL9501909 0.97 HPGD (0.58) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL7692022 0.83 HPGD (0.61) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL4204369 0.81 HPGD (0.59) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL4192663 0.81 HPGD (0.59) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL5847528 0.81 HTR2A (0.52) HPGDTDP1TACR1ALDH1A1LMNA
SCHEMBL12251783 0.80 HPGD (0.72) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4208519 0.80 HPGD (0.58) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL6792734 0.80 TDP1 (0.60) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL27601234 0.80 HPGD (0.58) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4198786 0.79 HPGD (0.56) 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