SCHEMBL28574668

SCHEMBL28574668

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
SLC9A1 P19634 2/20 0.48
CNR1 P21554 2/20 0.47
HDAC4 P56524 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28593003 0.85 DEGS1 (0.55) FFAR1SLC9A1HDAC4ALDH1A1HPGD
SCHEMBL4210867 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL301295 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL7651885 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL3751420 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL805079 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL13544388 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL6832060 0.83 SLC9A1 (0.60) FFAR1SLC9A1CNR1HDAC4ALDH1A1
SCHEMBL28588468 0.80 RAB9A (0.53) FFAR1RECQLMAPTTSHRNPSR1
SCHEMBL8295172 0.77 FFAR1 (0.70) FFAR1SLC9A1HDAC4ALDH1A1LMNA

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