SCHEMBL8463118

SCHEMBL8463118

CCCCCCC(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ GRIA4 P48058 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ CTRB1 P17538 1/20 0.37

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
SCHEMBL19754081 0.89 SIGMAR1 (0.42) HDAC3HDAC1HDAC2KCNH2SIGMAR1
SCHEMBL22664840 0.82 SLC2A1 (0.58) HDAC3HDAC1HDAC2GRIA4MEN1
SCHEMBL8724972 0.81 HDAC3 (0.40) HDAC3HDAC1HDAC2GRIA4MEN1
SCHEMBL9000940 0.80 HDAC3 (0.47) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL27652562 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2GRIA4MEN1
SCHEMBL11702818 0.79 CYP19A1 (0.46) SIGMAR1MEN1KMT2AHTR2ASLC2A1
SCHEMBL11705153 0.79 CYP19A1 (0.46) SIGMAR1MEN1KMT2AHTR2ASLC2A1
SCHEMBL11702009 0.79 CYP19A1 (0.46) SIGMAR1MEN1KMT2AHTR2ASLC2A1
SCHEMBL11705969 0.79 CYP19A1 (0.46) SIGMAR1MEN1KMT2AHTR2ASLC2A1
SCHEMBL11706831 0.79 CYP19A1 (0.46) SIGMAR1MEN1KMT2AHTR2ASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693468-B1 A method of making Diaryliodonium fluoroalkyl sulphonate salts MINNESOTA MINING & MFG (US) 1999-06-09 — — EP disclosed
US-5710320-A Diaryliodonium fluoroalkyl sulfonate salts and a method of making MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-01-20 — — US disclosed
US-5488147-A Diaryliodonium fluoroalkyl sulfonate salts and a method of making MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-30 — — US disclosed
EP-0693468-A2 Diaryliodonium fluoroalkyl sulphonate salts and a method of making them MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-24 — — EP disclosed
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