SCHEMBL11613245

SCHEMBL11613245

Cc1cc(OC(=O)C(F)(F)F)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.47
▸ PTGDR2 Q9Y5Y4 10/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NCOR2 Q9Y618 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
SCHEMBL11618584 0.86 RAB9A (0.42) PTGDR2GAARAB9A
SCHEMBL11618354 0.85 RAB9A (0.41) PTGDR2GAARAB9AHDAC3HDAC4
SCHEMBL11612815 0.77 CYP1A2 (0.44) P2RY14
SCHEMBL30128717 0.76 LMNA (0.57) P2RY14PTGDR2GAARAB9A
SCHEMBL11506946 0.75 PDE2A (0.42) PTGDR2
SCHEMBL11614081 0.75 RAB9A (0.43) PTGDR2GAARAB9A
SCHEMBL11616681 0.74 HDAC3 (0.52) GAARAB9AHDAC3HDAC4HDAC1
SCHEMBL11614319 0.74 RAB9A (0.42) PTGDR2GAARAB9AHDAC3HDAC4
SCHEMBL11615637 0.72 GAA (0.57) P2RY14GAARAB9AHDAC3HDAC4
SCHEMBL11617978 0.72 LMNA (0.46) P2RY14GAARAB9A

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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