SCHEMBL11552075

SCHEMBL11552075

COc1ccc(OC(C)C)cc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 4/20 0.47
▸ TP53 P04637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ CHEK2 O96017 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ PIM3 Q86V86 1/20 0.42
▸ CYP1A1 P04798 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
SCHEMBL11559725 0.94 TP53 (0.44) GUSBTP53POLBMAPTTDP1
SCHEMBL11550616 0.93 GUSB (0.51) GUSBTP53POLBMAPTTDP1
SCHEMBL11375670 0.91 GUSB (0.56) GUSBTP53POLBMAPTTDP1
SCHEMBL11556064 0.89 GUSB (0.49) GUSBTP53POLBMAPTTDP1
SCHEMBL11556538 0.87 TSHR (0.47) GUSBTP53POLBMAPTTDP1
SCHEMBL11552873 0.85 PDE5A (0.44) GUSBTP53POLBMAPTTDP1
SCHEMBL11380547 0.85 MGLL (0.48) GUSBTP53POLBMAPTTDP1
SCHEMBL11390124 0.84 PDE5A (0.41) TP53POLBMAPTTDP1KMT2A
SCHEMBL11375402 0.84 AMY1A (0.50) GUSBTP53POLBMAPTTDP1
SCHEMBL11554463 0.84 GUSB (0.51) GUSBTP53POLBMAPTTDP1

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-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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