SCHEMBL30015117

SCHEMBL30015117

O=C(O)Cc1ccccc1CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.61
TDP1 Q9NUW8 1/20 0.53
CXCL8 P10145 6/20 0.50
PTGS1 P23219 2/20 0.47
AKR1B10 O60218 1/20 0.47
UGT1A9 O60656 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
UGT1A6 P19224 1/20 0.47
UGT1A1 P22309 1/20 0.47
CXCR1 P25024 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47
AGTR2 P50052 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL304060 1.00 AKR1B1 (0.61) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL30359 0.88 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL29410826 0.88 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrogen Sulfide SCHEMBL27426416 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrochloric Acid SCHEMBL9621764 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrochloric Acid SCHEMBL6767821 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL28842838 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Iodide SCHEMBL31305035 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Methyl Alcohol SCHEMBL28299530 0.83 AKR1B1 (0.70) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL7255216 0.82 ALDH1A1 (0.41) AKR1B1TDP1CXCL8PTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146308-A Cyclic peptides for treating gastric cancer and pharmaceutical composition thereof 中国科学院分子细胞科学卓越创新中心 2024-06-07 CN disclosed
EP-4291177-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY Recovery Therapeutics, Inc. (US) 2023-12-20 EP disclosed
CN-117157069-A Compounds, compositions and methods for modulating FGF activity 康复治疗公司 2023-12-01 CN disclosed
WO-2022174083-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY RECOVERY THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed