SCHEMBL28323447

SCHEMBL28323447

CCOc1cc(CC(N)C(=O)O)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.53
TPH1 P17752 3/20 0.53
SLC7A5 Q01650 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1I2 O75469 1/20 0.50
PPARG P37231 1/20 0.50
AGTR2 P50052 1/20 0.50
BLM P54132 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL11446231 0.93 SLC7A5 (0.54) LDHASLC7A5MEN1KMT2ANR1I2
SCHEMBL31242504 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL8009937 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL29637606 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL159001 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL159000 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL30013904 0.90 LDHA (0.73) LDHATPH1SLC7A5MEN1KMT2A
Hydrochloric Acid SCHEMBL3207583 0.88 LDHA (0.71) LDHATPH1SLC7A5MEN1KMT2A
Hydrochloric Acid SCHEMBL10464213 0.88 LDHA (0.71) LDHATPH1SLC7A5MEN1KMT2A
SCHEMBL8964094 0.85 MMP1 (0.57) LDHASLC7A5KMT2AKDM4EPTGS1

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
CN-110386893-A Isoindole derivatives 天津合美医药科技有限公司 2019-10-29 CN disclosed