SCHEMBL11552844

SCHEMBL11552844

CCCOc1ccc(OCC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.49
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE5A O76074 12/20 0.46
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ PDE6C P51160 1/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL11552873 0.92 PDE5A (0.44) GUSBPOLBTP53MAPTTDP1
SCHEMBL11554058 0.90 GUSB (0.51) GUSBPOLBNPC1TP53MAPT
SCHEMBL11556064 0.88 GUSB (0.49) GUSBPOLBNPC1TP53MAPT
SCHEMBL11556538 0.88 TSHR (0.47) GUSBPOLBNPC1TP53MAPT
SCHEMBL11550603 0.88 GUSB (0.47) GUSBPOLBNPC1TP53MAPT
SCHEMBL11549969 0.86 GUSB (0.49) GUSBPOLBTP53MAPTTDP1
SCHEMBL11550702 0.86 GUSB (0.42) GUSBPOLBNPC1TP53MAPT
SCHEMBL11550601 0.85 GUSB (0.50) GUSBPOLBNPC1TP53MAPT
SCHEMBL11553636 0.85 GUSB (0.52) GUSBPOLBNPC1TP53MAPT
SCHEMBL11383679 0.84 PDE5A (0.66) GUSBMAPTPDE5APDE6CKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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