SCHEMBL9680693

SCHEMBL9680693

CCc1cccc(CC)c1NC(=O)CN(C(=O)Nc1c(C)cccc1C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
MC4R P32245 1/20 0.50
SCN4A P35499 1/20 0.50
MC3R P41968 1/20 0.50
HTR3A P46098 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN3A Q9NY46 1/20 0.50
GAA P10253 2/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL9680185 0.87 LMNA (0.50) TDP1ALOX15CYP2C19ALDH1A1LMNA
SCHEMBL9680261 0.82 CYP2C19 (0.54) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL9680634 0.74 ALOX15 (0.46) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL9680221 0.73 KMT2A (0.49) TDP1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22414266 0.73 MTOR (0.49) TDP1CYP2C19ALDH1A1LMNAMAPT
SCHEMBL10710911 0.72 ALDH1A1 (0.82) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL12812272 0.70 POLB (0.65) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL23317213 0.70 BRD4 (0.60) ALOX15CYP2C19ALDH1A1LMNAMAPT
Lidocaine SCHEMBL28313393 0.70 MAPT (0.97) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL12923166 0.69 POLB (0.64) TDP1ALOX15CYP2C19ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed