SCHEMBL11553636

SCHEMBL11553636

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.52
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE5A O76074 14/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HDAC1 Q13547 9/20 0.45
▸ HDAC6 Q9UBN7 9/20 0.45
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ NCOR2 Q9Y618 2/20 0.44
▸ PDE6C P51160 2/20 0.44
▸ TSHR P16473 1/20 0.43

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
SCHEMBL11550601 0.92 GUSB (0.50) GUSBNPC1TP53POLBMAPT
SCHEMBL11551231 0.90 MPL (0.50) GUSBNPC1TP53POLBMAPT
SCHEMBL11554058 0.87 GUSB (0.51) GUSBNPC1TP53POLBMAPT
SCHEMBL11384695 0.86 GUSB (0.71) GUSBNPC1TP53POLBMAPT
SCHEMBL11552844 0.85 GUSB (0.49) GUSBNPC1TP53POLBMAPT
SCHEMBL11556064 0.85 GUSB (0.49) GUSBNPC1TP53POLBMAPT
SCHEMBL11550603 0.82 GUSB (0.47) GUSBNPC1TP53POLBMAPT
SCHEMBL11556538 0.82 TSHR (0.47) GUSBNPC1TP53POLBMAPT
SCHEMBL11553024 0.81 GUSB (0.57) GUSBNPC1TP53POLBMAPT
SCHEMBL11550624 0.80 KDM4E (0.54) GUSBNPC1MAPTL3MBTL1PDE5A

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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