SCHEMBL11550601

SCHEMBL11550601

CCCc1ccc(OCC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.50
▸ PDE5A O76074 17/20 0.49
▸ HDAC6 Q9UBN7 12/20 0.49
▸ HDAC1 Q13547 11/20 0.49
▸ HDAC2 Q92769 7/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ NCOR2 Q9Y618 2/20 0.49
▸ PDE6C P51160 2/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 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
▸ PDE3A Q14432 2/20 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
SCHEMBL11551231 0.94 MPL (0.50) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11553636 0.92 GUSB (0.52) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11552844 0.85 GUSB (0.49) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11554058 0.85 GUSB (0.51) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11384695 0.84 GUSB (0.71) GUSBPDE5ANPC1TP53POLB
SCHEMBL11556064 0.83 GUSB (0.49) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11550603 0.81 GUSB (0.47) GUSBPDE5AHDAC6HDAC1HDAC2
SCHEMBL11556538 0.81 TSHR (0.47) GUSBNPC1TP53POLBMAPT
SCHEMBL11375179 0.80 PDE5A (0.45) GUSBPDE5ANPC1TP53POLB
SCHEMBL11553024 0.80 GUSB (0.57) GUSBPDE5ANPC1TP53POLB

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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