SCHEMBL18641007

SCHEMBL18641007

Cc1c(C(=O)O)ccc(C(C)c2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.42
TYR P14679 1/20 0.41
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL28549725 0.84 ALDH1A1 (0.42) GRM1TYRALDH1A1MEN1LMNA
SCHEMBL28566236 0.84 ALDH1A1 (0.42) GRM1TYRALDH1A1MEN1LMNA
SCHEMBL27749720 0.83 TYR (0.42) GRM1TYRLDHALDHBALDH1A1
SCHEMBL27749718 0.83 TYR (0.42) GRM1TYRLDHALDHBALDH1A1
SCHEMBL3268515 0.81 G6PD (0.49) TYRLDHALDHBALDH1A1MEN1
SCHEMBL10492587 0.78 TYR (0.43) TYRALDH1A1LMNAKMT2AKDM4E
SCHEMBL453469 0.76 ALDH1A1 (0.47) TYRLDHALDHBALDH1A1MEN1
SCHEMBL21932426 0.76 GRM1 (0.43) GRM1LDHALDHBALDH1A1MEN1
SCHEMBL30389737 0.76 ACE2 (0.51) GRM1ALDH1A1MEN1LMNAPOLB
SCHEMBL10583690 0.76 TYR (0.46) GRM1TYRLDHAALDH1A1LMNA

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-3349761-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP disclosed
WO-2017048954-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed