SCHEMBL11378233

SCHEMBL11378233

CCOCCOc1ccccc1-c1nc2ccc(C(=O)OCC)cc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PDE5A O76074 10/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAT2A P31153 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL11384809 0.91 GUSB (0.56) GUSBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11374673 0.91 GUSB (0.58) GUSBKDM4EALDH1A1HPGDPDE5A
SCHEMBL11375840 0.87 ALDH1A1 (0.58) GUSBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11374270 0.85 ALDH1A1 (0.55) GUSBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11383679 0.82 PDE5A (0.66) GUSBKDM4EALDH1A1HPGDPDE5A
SCHEMBL11384695 0.82 GUSB (0.71) GUSBPDE5APDE10AMEN1MAPT
SCHEMBL11380722 0.81 PDE5A (0.59) GUSBKDM4EALDH1A1HPGDPDE5A
SCHEMBL11553644 0.81 ALDH1A1 (0.53) GUSBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11375259 0.81 PDE5A (0.58) GUSBKDM4EALDH1A1HPGDPDE5A
SCHEMBL11554449 0.80 GUSB (0.47) GUSBPDE5APDE10AMEN1MAPT

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-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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