SCHEMBL21450877

SCHEMBL21450877

C=C(C)OC(=C)c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ ATM Q13315 1/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL14127316 0.76 POLB (0.67) POLBKDM4EATMKMT2AMAPT
SCHEMBL14495327 0.76 ATM (0.65) POLBKDM4EATMKMT2AMAPT
SCHEMBL102971 0.73 KDM4E (0.89) POLBKDM4EATMKMT2AMAPT
SCHEMBL16071127 0.73 TSHR (0.56) POLBKDM4EATMKMT2AMAPT
SCHEMBL14392224 0.72 POLB (0.53) POLBKDM4EATMKMT2AMAPT
SCHEMBL16795707 0.70 TSHR (0.53) POLBKDM4EATMKMT2AMAPT
SCHEMBL12930767 0.70 KDM4E (0.67) POLBKDM4EATMKMT2AMAPT
SCHEMBL3465063 0.69 MEN1 (0.69) POLBKMT2AMAPTLMNAMEN1
SCHEMBL14376022 0.69 POLB (0.58) POLBKDM4EATMKMT2AMAPT
SCHEMBL29110815 0.69 POLB (0.58) POLBKDM4EATMKMT2AMAPT

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
WO-2019194556-A1 NOVEL 6-HETEROARYLAMINO-2,4,5-TRIMETHYLPYRIDIN-3-OL COMPOUND, OR PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASES AND AUTOIMMUNE DISEASES COMPRISING SAME 영남대학교 산학협력단 2019-10-10 — — WO disclosed
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