SCHEMBL11619002

SCHEMBL11619002

Cc1cc(OC(=O)c2ccc(C)c(C)c2)n(Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTGDR2 Q9Y5Y4 4/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ NCOR2 Q9Y618 2/20 0.39

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
SCHEMBL11602560 0.85 RAB9A (0.45) GAARAB9AKMT2AMAPTALOX15
SCHEMBL11616926 0.85 RAB9A (0.43) GAARAB9AKMT2AMAPTALOX15
SCHEMBL11618190 0.83 RAB9A (0.47) GAARAB9AKMT2AMAPTALOX15
SCHEMBL11613118 0.81 MAPT (0.46) GAARAB9AKMT2AMAPTMEN1
SCHEMBL11613326 0.81 GAA (0.43) GAARAB9AKMT2AMAPTPOLB
SCHEMBL11609351 0.81 PTGDR2 (0.44) GAARAB9AKMT2AMAPTPOLB
SCHEMBL11616942 0.81 RAB9A (0.43) GAARAB9AKMT2AMAPTPOLB
SCHEMBL11614081 0.80 RAB9A (0.43) GAARAB9AKMT2AMAPTPOLB
SCHEMBL11610569 0.80 PTGDR2 (0.47) GAARAB9AKMT2AMEN1POLB
SCHEMBL11611117 0.79 PTGDR2 (0.42) GAARAB9AKMT2AMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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