SCHEMBL28917367

SCHEMBL28917367

O=[N+]([O-])c1ccc(CO[PH](=O)OCc2ccc([N+](=O)[O-])c(O)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.49
▸ SNCA P37840 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38

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
SCHEMBL28917368 0.89 GPR35 (0.47) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL28917708 0.88 MAPT (0.56) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL2346437 0.81 GPR35 (0.51) GPR35SNCAMAPTHSD17B10MAPK1
Hydrochloric Acid SCHEMBL11339240 0.79 IDO1 (0.56) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL28917336 0.79 ALDH1A1 (0.46) MAPTL3MBTL1HPGDALDH1A1CYP3A4
SCHEMBL27671999 0.78 GPR35 (0.49) GPR35SNCAMAPTHSD17B10MAPK1
SCHEMBL8170826 0.78 GPR35 (0.49) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL9198508 0.78 SNCA (0.62) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL10819595 0.77 GPR35 (0.47) GPR35SNCAMAPTNPSR1HSD17B10
SCHEMBL28917710 0.77 MAPT (0.55) GPR35SNCAMAPTNPSR1HSD17B10

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-115485259-A Substituted hydroxystilbene compounds and derivatives, synthesis and use thereof 凯楠公爵IP有限责任公司 2022-12-16 — — CN disclosed
Send feedback