SCHEMBL28977333

SCHEMBL28977333

CC(=O)Oc1cn(C(C)=O)c2cc(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
BLM P54132 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PTGS2 P35354 2/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL8959923 0.88 KDM4E (0.37) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL25338189 0.82 PDGFRA (0.43) KDM4EALDH1A1TSHRBLMTDP1
SCHEMBL3241798 0.82 ABCB11 (0.46) KDM4EALDH1A1TSHRTDP1HPGD
SCHEMBL28696581 0.78 IDO1 (0.37) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL1051164 0.78 CREBBP (0.50) KDM4EALDH1A1HPGDHSD17B10SLC22A6
SCHEMBL29386752 0.78 CREBBP (0.50) KDM4EALDH1A1HPGDHSD17B10SLC22A6
SCHEMBL8364452 0.76 CFD (0.35) KDM4EALDH1A1TSHRPTGS2HPGD
SCHEMBL13834151 0.75 NPC1 (0.42) ALDH1A1TSHRSLC22A6CREBBPRAB9A
SCHEMBL17320137 0.75 BAZ2B (0.42) KDM4EALDH1A1TSHRHPGDSLC22A6
SCHEMBL8959603 0.75 RAB9A (0.43) KDM4EALDH1A1TSHRGAARAB9A

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-115894330-A Synthesis method and application of 1-acetyl-1H-indol-3-yl acetate derivative 吉林医药学院 2023-04-04 CN disclosed