SCHEMBL11556064

SCHEMBL11556064

CCOc1ccc(OC(C)C)cc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 4/20 0.49
▸ TP53 P04637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE5A O76074 5/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ PDE6C P51160 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL11559725 0.91 TP53 (0.44) GUSBTP53MAPTPOLBTDP1
SCHEMBL11554058 0.90 GUSB (0.51) GUSBTP53MAPTPOLBTDP1
SCHEMBL11552075 0.89 GUSB (0.47) GUSBTP53MAPTPOLBTDP1
SCHEMBL11552844 0.88 GUSB (0.49) GUSBTP53MAPTPOLBTDP1
SCHEMBL11550616 0.86 GUSB (0.51) GUSBTP53MAPTPOLBTDP1
SCHEMBL11556538 0.86 TSHR (0.47) GUSBTP53MAPTPOLBTDP1
SCHEMBL11550603 0.86 GUSB (0.47) GUSBTP53MAPTPOLBTDP1
SCHEMBL11553636 0.85 GUSB (0.52) GUSBTP53MAPTPOLBTDP1
SCHEMBL11384695 0.83 GUSB (0.71) GUSBTP53MAPTPOLBTDP1
SCHEMBL11550601 0.83 GUSB (0.50) GUSBTP53MAPTPOLBTDP1

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
Send feedback