SCHEMBL11554463

SCHEMBL11554463

COc1cccc(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 5/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ F2 P00734 1/20 0.40

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
SCHEMBL11549248 0.91 GUSB (0.56) GUSBHDAC6POLBMEN1TSHR
SCHEMBL11375677 0.86 PDE5A (0.54) GUSBPOLBMEN1KMT2APDE5A
SCHEMBL11549471 0.86 GUSB (0.53) GUSBHDAC6POLBMEN1TSHR
SCHEMBL11382413 0.85 GUSB (0.59) GUSBHDAC6POLBMEN1TSHR
SCHEMBL11552075 0.84 GUSB (0.47) GUSBHDAC6POLBMEN1KMT2A
SCHEMBL11551096 0.83 GUSB (0.48) GUSBHDAC6POLBMEN1KMT2A
SCHEMBL11549992 0.82 POLB (0.48) GUSBPOLBMEN1KMT2ANPC1
SCHEMBL11554055 0.82 GUSB (0.55) GUSBPOLBTSHRPDE5ANPC1
SCHEMBL11554449 0.82 GUSB (0.47) GUSBHDAC6POLBMEN1KMT2A
SCHEMBL11379676 0.82 GUSB (0.51) GUSBPOLBMEN1TSHRKMT2A

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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