SCHEMBL28593003

SCHEMBL28593003

O=C(O)C1C[C@@H](c2ccc(O)cc2)[C@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.55
FFAR1 O14842 5/20 0.51
HDAC4 P56524 1/20 0.47
ALDH1A1 P00352 1/20 0.46
P4HB P07237 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SLC9A1 P19634 1/20 0.44
HPGD P15428 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL28574668 0.85 FFAR1 (0.50) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL14244532 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL22466332 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL22466320 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL15239406 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL4779413 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL15239255 0.82 FFAR1 (0.61) DEGS1FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL28588468 0.81 RAB9A (0.53) FFAR1
SCHEMBL4126470 0.78 FFAR1 (0.70) DEGS1FFAR1HDAC4ALDH1A1GAA
SCHEMBL8295172 0.78 FFAR1 (0.70) DEGS1FFAR1HDAC4ALDH1A1GAA

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-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 CN disclosed