SCHEMBL6423012

SCHEMBL6423012

CCc1c(C=O)cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
FOLH1 Q04609 1/20 0.38
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
XDH P47989 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL5981438 0.83 PSMB5 (0.42) LMNAKMT2AMEN1THRBBLM
SCHEMBL7105247 0.82 PDCD1 (0.37) ALDH1A1PDCD1CD274HPGDADRB2
SCHEMBL9806251 0.80 PDCD1 (0.47) ALDH1A1FOLH1PDCD1CD274SMN1; SMN2
SCHEMBL2413276 0.78 USP7 (0.32) LMNAKMT2AMEN1THRBBLM
Formamide SCHEMBL15663241 0.77 DPP4 (0.44) KMT2AALDH1A1FOLH1PDCD1CD274
SCHEMBL473270 0.77 PDCD1 (0.50) KMT2AFOLH1PDCD1CD274PTGS2
SCHEMBL96494 0.76 LMNA (0.57) LMNAKMT2AMEN1THRBBLM
Benzene SCHEMBL27923728 0.76 LMNA (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL5711323 0.76 LMNA (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL11382363 0.76 PDCD1 (0.48) KMT2AFOLH1PDCD1CD274PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed