SCHEMBL11827811

SCHEMBL11827811

O=C(O)c1cc(=O)c2c(OCC(O)COc3ccc(Cl)cc3)cccc2o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.81
▸ LMNA P02545 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ CYP1A2 P05177 1/20 0.47
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 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
SCHEMBL11832140 0.91 GPR35 (0.88) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11829458 0.90 GPR35 (0.86) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL3865 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29353205 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29352570 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11841373 0.90 GPR35 (0.82) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11832230 0.89 GPR35 (0.81) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11835171 0.89 GPR35 (0.81) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11834241 0.89 GPR35 (0.81) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11832984 0.89 GPR35 (0.81) GPR35LMNATDP1MEN1KMT2A

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
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 — — US disclosed
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