SCHEMBL68420

SCHEMBL68420

CC(C)(C)C(NC(=O)O)c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 6/20 0.41
SMARCA4 P51532 5/20 0.41
GRM5 P41594 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR2 O15552 1/20 0.36
PDE2A O00408 5/20 0.35
AR P10275 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRCP P42785 1/20 0.33

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
SCHEMBL568130 0.79 CCR1 (0.38) MEN1LMNAMAPK1KMT2APDE2A
SCHEMBL2065632 0.78 NAPRT (0.41) GRM5AKR1C3AKR1C2MEN1LMNA
SCHEMBL4943891 0.73 NPC1 (0.42) MEN1LMNAKMT2APDE2A
SCHEMBL2183698 0.71 AKR1C3 (0.44) AKR1C3AKR1C2MEN1LMNAMAPK1
SCHEMBL26685092 0.71 KMT2A (0.43) SMARCA2SMARCA4MEN1LMNAKMT2A
SCHEMBL27334484 0.71 RECQL (0.37) SMARCA2SMARCA4AKR1C3AKR1C2ROCK2
SCHEMBL12541474 0.71 SMN1; SMN2 (0.42) MEN1LMNAMAPK1KMT2AAR
SCHEMBL2865570 0.71 PREP (0.48) GRM5KDM4CMEN1LMNAMAPK1
SCHEMBL30953476 0.71 NPC1 (0.43) SMARCA2SMARCA4KDM4CAKR1C3AKR1C2
SCHEMBL2459503 0.70 CPN1 (0.45) LMNA

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed