SCHEMBL9783166

SCHEMBL9783166

CCCCB(c1cccc(C(C)(C)C)c1)c1ccccc1OC.CCCCCCCCCCCCn1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TBXAS1 P24557 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL9783205 0.86 TBXAS1 (0.55) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9783141 0.79 MEN1 (0.54) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9783299 0.75 TBXAS1 (0.63) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9808520 0.75 TBXAS1 (0.48) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9783713 0.70 TBXAS1 (0.65) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9783656 0.69 TBXAS1 (0.56) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL9784137 0.68 TBXAS1 (0.67) KMT2AMEN1TBXAS1LMNAMAPK1
SCHEMBL9783406 0.68 TBXAS1 (0.52) KMT2AMEN1ALDH1A1NPSR1TBXAS1
SCHEMBL9783954 0.67 TBXAS1 (0.60) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL27603449 0.66 TBXAS1 (0.96) TBXAS1LMNAQPCT

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-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
Send feedback