SCHEMBL11554449

SCHEMBL11554449

CCOCCOc1c(OC)cccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDE5A O76074 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40

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
SCHEMBL11549471 0.92 GUSB (0.53) GUSBNPC1TP53POLBMAPT
SCHEMBL11551096 0.91 GUSB (0.48) GUSBNPC1TP53POLBMAPT
SCHEMBL11374673 0.88 GUSB (0.58) GUSBNPC1TP53POLBMAPT
SCHEMBL11549248 0.86 GUSB (0.56) GUSBNPC1TP53POLBMAPT
SCHEMBL11554055 0.86 GUSB (0.55) GUSBNPC1TP53POLBMAPT
SCHEMBL11553024 0.86 GUSB (0.57) GUSBNPC1TP53POLBMAPT
SCHEMBL11550702 0.84 GUSB (0.42) GUSBNPC1TP53POLBMAPT
SCHEMBL11556023 0.84 GUSB (0.51) GUSBNPC1TP53POLBMAPT
SCHEMBL11553336 0.84 GUSB (0.51) GUSBNPC1TP53POLBMAPT
SCHEMBL11553644 0.83 ALDH1A1 (0.53) GUSBNPC1TP53POLBMAPT

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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