SCHEMBL11639469

SCHEMBL11639469

C=CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HIF1A Q16665 4/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 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
SCHEMBL11383580 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EHIF1ACYP1A2CYP2D6
SCHEMBL11638740 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHIF1ALMNASMN1; SMN2
SCHEMBL11640971 0.82 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL11404065 0.80 HIF1A (0.54) ALDH1A1KDM4EHIF1ASMN1; SMN2MAPT
SCHEMBL2384818 0.76 HIF1A (0.51) ALDH1A1KDM4EHIF1ASMN1; SMN2MAPT
SCHEMBL2384823 0.76 HIF1A (0.51) ALDH1A1KDM4EHIF1ASMN1; SMN2MAPT
SCHEMBL10679151 0.75 KMT2A (0.60) ALDH1A1KDM4EHIF1ACYP1A2CYP2D6
SCHEMBL10674889 0.74 EGFR (0.61) ALDH1A1KDM4EHIF1ALMNASMN1; SMN2
SCHEMBL2385559 0.74 HIF1A (0.78) HIF1A
SCHEMBL12254526 0.74 HIF1A (0.66) HIF1ATSHR

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-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US disclosed
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