SCHEMBL29663530

SCHEMBL29663530

O=C(Nc1ccc2cc(C(=O)O)ccc2c1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.62
MGLL Q99685 2/20 0.59
ROCK2 O75116 1/20 0.58
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55
ENPP2 Q13822 2/20 0.53
NR1H4 Q96RI1 1/20 0.52
PLAU P00749 1/20 0.51
KDM1A O60341 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTPN1 P18031 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
SCHEMBL28804964 1.00 CYSLTR1 (0.62) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL4432278 0.89 MGLL (0.65) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL30207797 0.89 MGLL (0.65) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL2746902 0.86 MGLL (0.62) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL3694153 0.86 POLB (0.68) MGLLROCK2TP53MAPTNPC1
SCHEMBL6400257 0.85 MGLL (0.72) MGLLNPC1ALDH1A1RAB9APOLB
SCHEMBL1530116 0.84 MGLL (0.59) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL3580828 0.83 CYSLTR1 (0.54) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL7404743 0.82 MGLL (0.56) CYSLTR1MGLLROCK2TP53MAPT
SCHEMBL2328795 0.82 MGLL (0.56) MGLLROCK2TP53MAPTNPC1

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-114729331-A Chemically modified adeno-associated virus 法国国家科学研究中心 2022-07-08 CN disclosed