SCHEMBL11550603

SCHEMBL11550603

C=CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 4/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE5A O76074 5/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE6C P51160 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL11550692 0.92 LMNA (0.43) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11552844 0.88 GUSB (0.49) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11554058 0.88 GUSB (0.51) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11551327 0.86 ALDH1A1 (0.49) GUSBNPC1RAB9AMAPTTP53
SCHEMBL11556064 0.86 GUSB (0.49) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11556538 0.85 TSHR (0.47) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11375830 0.82 GUSB (0.52) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11553636 0.82 GUSB (0.52) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11384695 0.81 GUSB (0.71) GUSBNPC1RAB9APOLBMAPT
SCHEMBL11550601 0.81 GUSB (0.50) GUSBNPC1RAB9APOLBMAPT

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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